SCHEMBL7946314

SCHEMBL7946314

Cc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=N)CO)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.60
EDNRB P24530 1/20 0.56

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
SCHEMBL4631525 0.92 EDNRA (0.63) EDNRAEDNRB
SCHEMBL4631825 0.89 EDNRA (0.75) EDNRAEDNRB
SCHEMBL4632022 0.88 EDNRA (0.72) EDNRAEDNRB
SCHEMBL4631566 0.88 EDNRA (0.62) EDNRAEDNRB
SCHEMBL4660858 0.87 EDNRA (0.62) EDNRAEDNRB
SCHEMBL4630673 0.87 EDNRA (0.72) EDNRAEDNRB
SCHEMBL4631403 0.86 EDNRA (0.60) EDNRAEDNRB
SCHEMBL27543155 0.86 EDNRA (0.61) EDNRAEDNRB
SCHEMBL4631575 0.85 EDNRA (0.73) EDNRAEDNRB
SCHEMBL4631347 0.85 EDNRA (0.61) 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
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO claimed
CN-1253560-A Sulfonamides for the treatment of endothelin mediated diseases TEXA BIOTECHNOLOGY CORP (US) 2000-05-17 CN claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
CN-1253560-A Sulfonamides for the treatment of endothelin mediated diseases TEXA BIOTECHNOLOGY CORP (US) 2000-05-17 CN disclosed