SCHEMBL8327893

SCHEMBL8327893

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(OC)c3)ncnc2OCCOC(=O)Nc2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.56
EDNRB P24530 16/20 0.56
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8321551 0.93 EDNRB (0.55) EDNRAEDNRB
SCHEMBL8326488 0.91 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8329196 0.91 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8321995 0.90 EDNRA (0.65) EDNRAEDNRB
SCHEMBL8327010 0.90 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8322713 0.89 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8326887 0.87 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8327017 0.85 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8326167 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7850036 0.85 EDNRB (0.49) 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