SCHEMBL7550896

SCHEMBL7550896

COc1ccc(-c2ccccc2F)c(S(=O)(=O)Nc2onc(C)c2C)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.63
EDNRB P24530 3/20 0.55

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
SCHEMBL6766562 0.79 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6771340 0.79 EDNRA (0.73) EDNRAEDNRB
SCHEMBL6770783 0.78 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6770560 0.78 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6772509 0.76 EDNRB (0.72) EDNRAEDNRB
SCHEMBL6777975 0.75 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7552444 0.72 ALDH1A1 (0.48) EDNRAEDNRB
SCHEMBL6770437 0.72 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7947798 0.72 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6772995 0.71 EDNRA (0.76) EDNRAEDNRB

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 2 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 claimed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO claimed