SCHEMBL8326175

SCHEMBL8326175

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCN)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.63
EDNRB P24530 2/20 0.63

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
SCHEMBL8321011 0.92 EDNRA (0.76) EDNRAEDNRB
SCHEMBL8329765 0.86 EDNRA (0.59) EDNRAEDNRB
Benzamide SCHEMBL7592195 0.86 EDNRA (0.69) EDNRAEDNRB
Hydrochloric Acid SCHEMBL8658877 0.85 EDNRB (0.82) EDNRAEDNRB
SCHEMBL8325879 0.85 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7006412 0.85 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8325810 0.85 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7007652 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7009278 0.84 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7197084 0.84 EDNRA (0.83) 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