SCHEMBL8326211

SCHEMBL8326211

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OCCO)cc3)ncnc2OCCOC(=O)Nc2ccccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.51
EDNRB P24530 4/20 0.51
PIK3CG P48736 1/20 0.43

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
SCHEMBL8329173 0.95 EDNRA (0.51) EDNRAEDNRB
SCHEMBL9282162 0.91 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8324547 0.90 EDNRA (0.63) EDNRAEDNRB
SCHEMBL8329196 0.88 EDNRA (0.53) EDNRAEDNRB
SCHEMBL9092381 0.86 EDNRA (0.58) EDNRAEDNRB
SCHEMBL8327032 0.86 EDNRA (0.46) EDNRAEDNRB
SCHEMBL8324859 0.85 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8326215 0.84 EDNRA (0.52) EDNRAEDNRBPIK3CG
SCHEMBL8323894 0.84 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8327303 0.84 EDNRA (0.57) 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