SCHEMBL6635052

SCHEMBL6635052

Brc1ccc2c(c1)CNC1(CN2)Cc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ PNMT P11086 4/20 0.33
▸ ADRA2A P08913 3/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL15373652 0.71 PNMT (0.45) CMA1AHRBRD4PNMTADRA2A
SCHEMBL31076226 0.71 BRD4 (0.41) CMA1AHRBRD4PNMTADRA2A
SCHEMBL1396641 0.69 BRD4 (0.44) CMA1AHRBRD4PNMTADRA2A
SCHEMBL2988989 0.68 ALOX15 (0.63) CMA1AHRBRD4SLC6A2HTR2A
SCHEMBL24424921 0.68 TDP1 (0.43) CMA1AHRSLC6A2HTR2AHTR2C
SCHEMBL29620728 0.68 TDP1 (0.43) CMA1AHRSLC6A2HTR2AHTR2C
SCHEMBL6615558 0.66 HSD17B3 (0.43) BRD4IDH1LMNA
SCHEMBL12280375 0.66 PNMT (0.50) CMA1AHRPNMTADRA2AADRA2B
SCHEMBL290721 0.65 PNMT (0.48) CMA1AHRBRD4PNMTADRA2A
SCHEMBL17252188 0.65 CMA1 (0.43) CMA1AHRBRD4PNMTADRA2A

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
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