SCHEMBL7585609

SCHEMBL7585609

COc1cccc(Oc2c(Cl)nc(-c3ccco3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.51
EDNRA P25101 1/20 0.51

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
SCHEMBL7302681 0.86 EDNRA (0.55) EDNRBEDNRA
SCHEMBL7296697 0.86 EDNRA (0.56) EDNRBEDNRA
SCHEMBL7990440 0.84 EDNRB (0.55) EDNRBEDNRA
SCHEMBL7582149 0.84 EDNRB (0.57) EDNRBEDNRA
SCHEMBL7301565 0.83 EDNRB (0.51) EDNRBEDNRA
SCHEMBL7580836 0.81 EDNRA (0.44) EDNRBEDNRA
SCHEMBL7326206 0.80 EDNRB (0.58) EDNRBEDNRA
SCHEMBL7294305 0.79 EDNRB (0.71) EDNRBEDNRA
SCHEMBL7583488 0.79 EDNRA (0.48) EDNRBEDNRA
SCHEMBL7589754 0.79 EDNRA (0.47) EDNRBEDNRA

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-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP disclosed
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP disclosed