TABLE 2

Compounds identified by the COMPARE algorithm as correlating with ABCG2 function

Compounds whose cytotoxicity profile or “fingerprint” across the NCI-60 cell lines have the highest positive and negative correlations with the ABCG2 functional results are listed, including the value of the Pearson correlation coefficient. Full chemical names for all compounds may be located at http://pubchem.ncbi.nlm.nih.gov.

Potential Substrates				Potential Targeting Agents
Rank	Compound	PCC	Name	Rank	Compound	PCC	Name
1	NSC651644	0.635		1	NSC651424	−0.739
2	NSC722812	0.592		2	NSC723121	−0.616
3	NSC686342	0.516		3	NSC716430	−0.611
4	NSC625546	0.506	Cordigone	4	NSC674449	−0.587
5	NSC114609	0.503		5	NSC679209	−0.572
6	NSC696102	0.492		6	NSC668352	−0.571
7	NSC736740	0.489		7	NSC624663	−0.570	Betulitrin
8	NSC626879	0.479		8	NSC697538	−0.568
9	NSC668355	0.478		9	NSC141539	−0.562
10	NSC636795	0.477		10	NSC672223	−0.551
11	NSC717452	0.476		11	NSC702426	−0.550
12	NSC665697	0.476		12	NSC652295	−0.545
13	NSC622161	0.471		13	NSC679280	−0.540
14	NSC103054	0.471	2,4-Dibromoestradiol	14	NSC664904	−0.538
15	NSC305458	0.468		15	NSC661963	−0.538
16	NSC715406	0.464		16	NSC668351	−0.530
17	NSC623636	0.464		17	NSC601348	−0.529
18	NSC620515	0.463		18	NSC660031	−0.522
19	NSC652903	0.462	Saframycin	19	NSC691529	−0.520
20	NSC630986	0.458		20	NSC691209	−0.519
21	NSC621888	0.458		26	NSC153330	−0.502
22	NSC655897	0.457		29	NSC45384	−0.498	ME-Streptonigrin
23	NSC107392	0.456	5-HP	30	NSC58368	−0.497	Fumagillin
24	NSC174137	0.456		42	NSC24048	−0.472
25	NSC175150	0.455	Rosamicin	47	NSC69574	−0.466
26	NSC349156	0.447	Pancratistatin	48	NSC382054	−0.465
27	NSC691417	0.440		70	NSC600391	−0.439
28	NSC620303	0.438		81	NSC148958	−0.431	Tegafur
29	NSC691782	0.438		104	NSC608001	−0.409
32	NSC313981	0.436
36	NSC297093	0.430
72	NSC274557	0.400
74	NSC265473	0.399