SCHEMBL6632636

SCHEMBL6632636

CC(=O)N1Cc2cc(Br)ccc2NCC1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.56
FNTB P49356 8/20 0.56
ABCB1 P08183 4/20 0.44
HSD17B3 P37058 2/20 0.40
BRD4 O60885 2/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
POLB P06746 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
SCHEMBL6615296 0.89 FNTA (0.46) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6615857 0.89 FNTA (0.45) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6627228 0.88 FNTA (0.44) FNTAFNTBABCB1BRD4CA1
SCHEMBL6633403 0.87 FNTA (0.45) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6634139 0.87 FNTA (0.45) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6630439 0.86 FNTA (0.44) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6618032 0.86 FNTA (0.43) FNTAFNTBABCB1POLB
SCHEMBL6618037 0.86 FNTA (0.43) FNTAFNTBABCB1POLB
SCHEMBL6618635 0.86 NR1H2 (0.44) FNTAFNTB
SCHEMBL7683608 0.86 NR1H2 (0.44) FNTAFNTB

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