SCHEMBL7939780

SCHEMBL7939780

CC(=O)Nc1cccc2cc(S(=O)(=O)Nc3onc(C)c3C)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.67
CASP6 P55212 1/20 0.58
EDNRB P24530 2/20 0.55
RAB9A P51151 1/20 0.54

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
SCHEMBL8784628 0.92 EDNRA (0.67) EDNRAEDNRBRAB9A
SCHEMBL7951178 0.81 P2RY1 (0.64) RAB9A
SCHEMBL8784374 0.81 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8785066 0.81 EDNRA (0.67) EDNRAEDNRB
SCHEMBL15010361 0.81 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8784309 0.81 P2RY1 (0.63) RAB9A
SCHEMBL8785104 0.81 EDNRA (1.00) EDNRA
SCHEMBL7857278 0.77 TP53 (0.72) EDNRAEDNRBRAB9A
SCHEMBL7946083 0.76 EDNRA (0.87) EDNRAEDNRB
SCHEMBL15010097 0.76 EDNRA (0.55) 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 6 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-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