SCHEMBL8329894

SCHEMBL8329894

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(OC)c3)ncnc2OCCO)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.60
EDNRB P24530 8/20 0.60

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
SCHEMBL8325627 0.92 EDNRA (0.57) EDNRAEDNRB
SCHEMBL9091177 0.90 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8321011 0.88 EDNRA (0.76) EDNRAEDNRB
SCHEMBL8322048 0.88 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8323252 0.88 EDNRA (0.59) EDNRAEDNRB
SCHEMBL8322059 0.87 EDNRA (0.56) EDNRAEDNRB
SCHEMBL9092381 0.86 EDNRA (0.58) EDNRAEDNRB
SCHEMBL8327893 0.84 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8322054 0.83 EDNRA (0.57) EDNRAEDNRB
Benzamide SCHEMBL7592195 0.83 EDNRA (0.69) 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 3 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 disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed