SCHEMBL7946083

SCHEMBL7946083

CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.87
EDNRB P24530 1/20 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
SCHEMBL8785104 0.93 EDNRA (1.00) EDNRA
SCHEMBL9088061 0.81 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7951110 0.81 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9258558 0.80 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7939733 0.80 EDNRA (0.86) EDNRAEDNRB
SCHEMBL7947142 0.80 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7939612 0.79 EDNRA (0.71) EDNRAEDNRB
SCHEMBL9258136 0.79 EDNRA (0.70) EDNRAEDNRB
SCHEMBL9284343 0.78 EDNRA (0.73) EDNRA
SCHEMBL8785707 0.77 EDNRA (0.71) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP claimed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
EP-0586376-B1 Process and intermediates for the preparation of anxiolytic perhydro-1H-pyrido[1,2-a]pyrazines PFIZER (US) 1997-05-28 EP disclosed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP disclosed