SCHEMBL6644381

SCHEMBL6644381

CCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1C=Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.62
EDNRB P24530 19/20 0.62

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
SCHEMBL6645856 1.00 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6644378 1.00 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6640307 0.88 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6641914 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL6641912 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL6639043 0.86 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6644923 0.85 EDNRA (0.46) EDNRAEDNRB
SCHEMBL6643655 0.85 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6966531 0.84 EDNRB (0.48) EDNRAEDNRB
SCHEMBL6968725 0.80 EDNRA (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921800-B1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2004-04-14 EP disclosed
EP-0702012-B1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL MYERS SQUIBB CO (US) 2003-10-15 EP disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 EP disclosed