SCHEMBL6971496

SCHEMBL6971496

Cc1cc(CC(=O)O)cc(C)c1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.75
EDNRB P24530 10/20 0.75
ABCC3 O15438 1/20 0.66
ABCC4 O15439 1/20 0.66
ABCB11 O95342 1/20 0.66
PDE4A P27815 1/20 0.66

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
SCHEMBL4632072 0.92 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6964790 0.91 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7961933 0.91 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631411 0.91 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4630667 0.90 EDNRA (0.74) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4661986 0.90 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631901 0.89 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4632345 0.88 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL27492849 0.88 EDNRA (0.81) EDNRAEDNRB
SCHEMBL13324177 0.87 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4ABCB11

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
EP-0819125-B1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 2003-06-18 EP claimed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN claimed
CN-1130355-C Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-12-10 CN disclosed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN disclosed