SCHEMBL8325997

SCHEMBL8325997

COc1ccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCO)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.79
EDNRB P24530 3/20 0.79

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
SCHEMBL7294926 0.93 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7293307 0.90 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7294919 0.89 EDNRA (0.81) EDNRAEDNRB
SCHEMBL2678965 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL30057758 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7304845 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7299432 0.88 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7297028 0.88 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9424058 0.88 EDNRA (0.98) EDNRAEDNRB
SCHEMBL8325793 0.87 EDNRA (0.76) 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