SCHEMBL6773708

SCHEMBL6773708

COc1cc(Br)ccc1S(=O)(=O)Nc1onc(C)c1C

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.82
EDNRB P24530 14/20 0.82

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
SCHEMBL6770560 0.81 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7222781 0.81 EDNRB (1.00) EDNRAEDNRB
SCHEMBL6771340 0.78 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7951256 0.77 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7856711 0.76 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7849835 0.74 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7850030 0.74 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6640611 0.74 EDNRA (1.00) EDNRAEDNRB
SCHEMBL16509574 0.73 EDNRA (0.67) EDNRAEDNRB
SCHEMBL15270560 0.73 ALDH1A1 (0.64)

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