SCHEMBL9044684

SCHEMBL9044684

CSc1ccccc1Cc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)ncnc1OCCO

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.59
EDNRB P24530 6/20 0.48
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9045073 0.88 EDNRA (0.62) EDNRAEDNRB
SCHEMBL9046624 0.87 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9044533 0.84 EDNRA (0.40) EDNRAEDNRBLMNANPSR1
SCHEMBL9493332 0.81 EDNRA (0.77) EDNRAEDNRB
SCHEMBL9045463 0.80 EDNRA (0.61) EDNRAEDNRB
SCHEMBL9045783 0.80 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9045206 0.79 EDNRA (0.62) EDNRAEDNRB
SCHEMBL9045531 0.79 EDNRA (0.64) EDNRAEDNRB
SCHEMBL9046616 0.79 EDNRA (0.59) EDNRAEDNRB
SCHEMBL9045387 0.78 EDNRA (0.65) 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
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US 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
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed