SCHEMBL7505085

SCHEMBL7505085

CC=CCc1cc(C#N)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOB P27338 1/20 0.32
HTT P42858 1/20 0.32
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A2 P23975 1/20 0.31
BRD4 O60885 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL7843354 0.79 PPARG (0.38) CYP2A6MEN1TTRALBKMT2A
SCHEMBL27528549 0.77 LOXL2 (0.47) CYP2A6LOXL2MEN1TTRALB
SCHEMBL2934457 0.77 CYP2A6 (0.47) CYP2A6LOXL2MEN1TTRALB
SCHEMBL8536839 0.76 MAOB (0.37) CYP2A6LOXL2MEN1TTRALB
SCHEMBL1232330 0.74 MEN1 (0.39) CYP2A6LOXL2MEN1TTRALB
SCHEMBL4773225 0.74 MEN1 (0.43) CYP2A6MEN1TTRALBKMT2A
SCHEMBL500133 0.73 MEN1 (0.42) MEN1TTRALBKMT2AMAOB
SCHEMBL4774237 0.72 ALDH1A1 (0.37) CYP2A6MEN1TTRALBKMT2A
SCHEMBL1715050 0.72 IDO1 (0.48) LOXL2MEN1TTRALBKMT2A
SCHEMBL27455430 0.72 GSK3B (0.39) CYP2A6LOXL2MEN1TTRALB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed