SCHEMBL8321995

SCHEMBL8321995

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOC(=O)Nc2ccccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.65
EDNRB P24530 9/20 0.65

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
SCHEMBL8326630 0.92 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8326488 0.91 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8329196 0.91 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8325788 0.91 EDNRA (0.59) EDNRAEDNRB
SCHEMBL8327893 0.90 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8319167 0.90 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8326167 0.90 EDNRA (0.69) EDNRAEDNRB
SCHEMBL8322046 0.90 EDNRB (0.71) EDNRAEDNRB
SCHEMBL8322625 0.90 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8327303 0.89 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