SCHEMBL5035127

SCHEMBL5035127

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cccc([O])c2)nc1OC

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.78
EDNRB P24530 16/20 0.78

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
SCHEMBL5035021 0.91 EDNRA (0.77) EDNRAEDNRB
Avosentan SCHEMBL2742679 0.88 EDNRA (1.00) EDNRAEDNRB
Avosentan SCHEMBL29379732 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5035143 0.87 EDNRA (0.79) EDNRAEDNRB
SCHEMBL5035294 0.87 EDNRA (0.71) EDNRAEDNRB
SCHEMBL5035030 0.87 EDNRA (0.71) EDNRAEDNRB
SCHEMBL5036154 0.86 EDNRA (0.75) EDNRAEDNRB
SCHEMBL5036194 0.86 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5035167 0.86 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5036163 0.86 EDNRA (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed