SCHEMBL8326972

SCHEMBL8326972

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc4c(c3)OCO4)nc(CCOCc3ccccc3)nc2OCCOC(=O)Nc2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.53
EDNRB P24530 18/20 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
SCHEMBL8324911 0.93 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8323249 0.92 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8328509 0.91 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8468582 0.89 EDNRA (0.55) EDNRAEDNRB
SCHEMBL9090723 0.88 EDNRA (0.52) EDNRAEDNRB
SCHEMBL9092273 0.87 EDNRA (0.52) EDNRAEDNRB
SCHEMBL9091048 0.87 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8322713 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL9091529 0.86 EDNRA (0.66) EDNRAEDNRB
SCHEMBL9091652 0.86 EDNRA (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed