SCHEMBL7591783

SCHEMBL7591783

COc1ccc(S(=O)(=O)Nc2nc(OC(=O)O)nc(OCCO)c2Oc2cccc(OC)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.61
EDNRB P24530 4/20 0.61

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
SCHEMBL7593718 0.93 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7591778 0.91 EDNRB (0.51) EDNRAEDNRB
SCHEMBL7596644 0.90 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7589737 0.89 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7596382 0.87 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7946062 0.86 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7598561 0.86 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7594348 0.85 EDNRB (0.63) EDNRAEDNRB
SCHEMBL7586176 0.84 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7602383 0.84 EDNRB (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