SCHEMBL7948242

SCHEMBL7948242

Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.70
EDNRB P24530 2/20 0.70
KDM4E B2RXH2 2/20 0.70
TSHR P16473 2/20 0.70
HSD17B10 Q99714 2/20 0.70
MEN1 O00255 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
KMT2A Q03164 1/20 0.70
NSD2 O96028 1/20 0.53

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
SCHEMBL7949496 0.87 EDNRA (0.76) EDNRAEDNRBKDM4ETSHRHSD17B10
Bms-182874 SCHEMBL802730 0.82 EDNRA (1.00) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7951138 0.82 EDNRA (0.74) EDNRAEDNRBKDM4ETSHRHSD17B10
Bms-182874 SCHEMBL117150 0.82 EDNRA (0.98) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7857311 0.81 EDNRA (1.00) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7939545 0.80 EDNRA (0.74) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7948240 0.77 EDNRA (0.72) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7857611 0.77 SMN1; SMN2 (0.53) EDNRAEDNRBKDM4EMEN1HPGD
SCHEMBL8784615 0.77 EDNRA (0.76) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7939688 0.74 EDNRA (0.67) EDNRAEDNRBKDM4ETSHRHSD17B10

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