SCHEMBL6770560

SCHEMBL6770560

COc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.67
EDNRB P24530 11/20 0.65

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
SCHEMBL6771340 0.91 EDNRA (0.73) EDNRAEDNRB
SCHEMBL6773708 0.81 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6640611 0.80 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6771238 0.79 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7212795 0.78 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7550896 0.78 EDNRA (0.63) EDNRAEDNRB
SCHEMBL6766562 0.77 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6768276 0.77 EDNRB (0.72) EDNRAEDNRB
SCHEMBL6772509 0.74 EDNRB (0.72) EDNRAEDNRB
SCHEMBL6767692 0.74 EDNRA (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed