SCHEMBL3890891

SCHEMBL3890891

Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)NC1=C(Cl)N(C)CO1)COO2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.53
▸ EDNRB P24530 18/20 0.53
▸ ABCC3 O15438 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ PDE4A P27815 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
SCHEMBL4240721 0.80 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4907853 0.80 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7219972 0.77 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4907860 0.69 EDNRA (0.75) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6150890 0.69 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL29372653 0.69 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL803344 0.69 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL4142779 0.69 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL15139978 0.69 EDNRA (0.77) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL8555870 0.68 EDNRA (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009127426-A1 POLYMER-FREE STENTS COMPRISING AN ENDOTHELIN RECEPTOR ANTAGONIST VON KORN HUBERTUS (DE) 2009-10-22 — — WO disclosed
EP-2110148-A1 Polymer-free stents comprising an endothelin receptor antagonist von Korn, Hubertus (DE) 2009-10-21 — — EP disclosed
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