SCHEMBL7580836

SCHEMBL7580836

COc1cccc(Oc2c(Cl)nc(-c3ccco3)nc2NS(=O)(=O)c2ccc(C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.44
EDNRB P24530 14/20 0.44

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
SCHEMBL7589754 0.90 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7591508 0.86 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8398581 0.84 NPBWR1 (0.35) EDNRAEDNRB
SCHEMBL8399583 0.83 EDNRA (0.51) EDNRAEDNRB
SCHEMBL8399581 0.83 EDNRA (0.44) EDNRAEDNRB
SCHEMBL7585609 0.81 EDNRB (0.51) EDNRAEDNRB
SCHEMBL7589698 0.78 ALDH1A1 (0.47)
SCHEMBL7591710 0.76 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7991567 0.76 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8395334 0.74 LMNA (0.37) 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-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP disclosed