SCHEMBL7344693

SCHEMBL7344693

Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc3c(c2)OOC3)c1Br

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.74
EDNRB P24530 18/20 0.74

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
SCHEMBL7341657 0.88 EDNRA (0.78) EDNRAEDNRB
SCHEMBL4630636 0.85 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7791359 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL6958924 0.84 EDNRA (0.75) EDNRAEDNRB
SCHEMBL4631496 0.82 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4632393 0.77 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631351 0.77 EDNRB (1.00) EDNRAEDNRB
SCHEMBL6151316 0.77 EDNRB (0.85) EDNRAEDNRB
SCHEMBL6151669 0.75 EDNRB (1.00) EDNRAEDNRB
SCHEMBL6151659 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed