SCHEMBL16900663

SCHEMBL16900663

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.70
▸ EDNRB P24530 2/20 0.63

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
SCHEMBL1259727 0.93 EDNRA (0.69) EDNRAEDNRB
SCHEMBL1258645 0.90 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8324802 0.89 EDNRA (0.58) EDNRAEDNRB
SCHEMBL617288 0.89 EDNRA (0.72) EDNRAEDNRB
SCHEMBL29770411 0.89 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8328060 0.89 EDNRA (0.63) EDNRA
SCHEMBL5686011 0.89 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8326059 0.89 EDNRA (0.64) EDNRAEDNRB
SCHEMBL625550 0.89 EDNRA (0.71) EDNRAEDNRB
SCHEMBL5499789 0.88 EDNRA (0.63) 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-2550256-B1 PROCESS FOR THE PREPARATION OF BOSENTAN LESVI LABORATORIOS SL (ES) 2015-07-15 — — EP disclosed
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