SCHEMBL7293307

SCHEMBL7293307

COc1ccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCO)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.83
EDNRB P24530 1/20 0.83

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
SCHEMBL7297998 0.91 EDNRA (0.81) EDNRAEDNRB
SCHEMBL2678965 0.91 EDNRA (1.00) EDNRAEDNRB
SCHEMBL30057758 0.91 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8325997 0.90 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7294926 0.89 EDNRA (0.77) EDNRAEDNRB
SCHEMBL8325793 0.88 EDNRA (0.76) EDNRAEDNRB
SCHEMBL8321011 0.88 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9044771 0.87 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7298431 0.87 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7304845 0.87 EDNRA (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US claimed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed