SCHEMBL8325940

SCHEMBL8325940

COCc1nc(Cl)c(Oc2cc(OC)ccc2Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.56
EDNRB P24530 5/20 0.44
CCR9 P51686 1/20 0.42

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
SCHEMBL7332503 0.92 EDNRA (0.57) EDNRAEDNRBCCR9
SCHEMBL7293947 0.88 EDNRA (0.56) EDNRAEDNRBCCR9
SCHEMBL8327615 0.87 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7948180 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7946205 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL8325396 0.84 ALDH1A1 (0.46) EDNRAEDNRB
SCHEMBL7947634 0.83 EDNRA (0.63) EDNRAEDNRB
SCHEMBL9156436 0.82 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7017153 0.81 EDNRA (0.57) EDNRAEDNRBCCR9
SCHEMBL9156305 0.80 EDNRA (0.56) 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