SCHEMBL7596071

SCHEMBL7596071

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)nc(OC(=O)O)nc2OCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.52
EDNRB P24530 19/20 0.52

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
SCHEMBL7590654 0.90 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7598561 0.90 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7591783 0.84 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7591710 0.84 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8395136 0.82 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7841308 0.81 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7586116 0.81 EDNRA (0.45) EDNRAEDNRB
SCHEMBL7593718 0.80 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7598557 0.79 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7294848 0.78 EDNRA (0.61) 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 4 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 claimed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP claimed
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