SCHEMBL7979441

SCHEMBL7979441

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.66
EDNRB P24530 18/20 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
SCHEMBL7991404 0.91 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7503358 0.91 EDNRA (0.69) EDNRAEDNRB
Tezosentan SCHEMBL4524 0.90 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL29409604 0.90 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7991643 0.90 EDNRA (0.62) EDNRAEDNRB
Tezosentan SCHEMBL6963555 0.90 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL387772 0.90 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL1230886 0.90 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7974161 0.89 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7962811 0.89 EDNRA (0.80) 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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed