SCHEMBL6633636

SCHEMBL6633636

CC(=O)N1Cc2cc(Br)ccc2N(C(=O)C(F)(F)F)CC1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.58
FNTB P49356 8/20 0.58
ABCB1 P08183 3/20 0.44
HSD17B3 P37058 4/20 0.43
BRD4 O60885 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
BRS3 P32247 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6635023 0.93 FNTA (0.49) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6633140 0.85 FNTA (0.47) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6635731 0.85 FNTA (0.56) FNTAFNTBBRD4CA1CA2
SCHEMBL6616410 0.76 CYP11B2 (0.52) FNTAFNTBBRD4
SCHEMBL3501703 0.73 FNTA (0.71) FNTAFNTBABCB1BRD4BRS3
SCHEMBL6632636 0.73 FNTA (0.56) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6615352 0.70 FNTA (0.62) FNTAFNTBCA1CA2CA4
SCHEMBL6637047 0.70 FNTA (0.57) FNTAFNTBBRD4CA1CA2
SCHEMBL6637054 0.70 FNTA (0.57) FNTAFNTBBRD4CA1CA2
SCHEMBL3500100 0.67 FNTA (0.73) FNTAFNTBHSD17B3BRD4BRS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed