SCHEMBL9045519

SCHEMBL9045519

COc1ccc(-c2c(NS(=O)(=O)c3ccc(SC)cc3)ncnc2OCCO)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.66
EDNRB P24530 5/20 0.66
ALDH1A1 P00352 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
SCHEMBL9046557 0.93 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9045379 0.89 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9047331 0.87 EDNRA (0.68) EDNRAEDNRB
SCHEMBL9048955 0.87 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9044771 0.86 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9046504 0.86 EDNRA (0.69) EDNRAEDNRB
SCHEMBL9044321 0.85 EDNRA (0.64) EDNRAEDNRB
SCHEMBL9046082 0.83 ALDH1A1 (0.56) EDNRAEDNRBALDH1A1
SCHEMBL9044364 0.83 EDNRA (0.79) EDNRAEDNRB
SCHEMBL9044009 0.82 EDNRA (0.86) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP claimed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP claimed
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed