SCHEMBL9044159

SCHEMBL9044159

CC(C)CCc1ccc(S(=O)(=O)Nc2ncnc(OCCO)c2Cc2ccccc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.58
EDNRB P24530 7/20 0.49
BRS3 P32247 1/20 0.38
PIK3CG P48736 1/20 0.36

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
SCHEMBL9046616 0.92 EDNRA (0.59) EDNRAEDNRB
SCHEMBL9045073 0.89 EDNRA (0.62) EDNRAEDNRB
SCHEMBL9045531 0.87 EDNRA (0.64) EDNRAEDNRB
SCHEMBL9046239 0.85 EDNRA (0.40) EDNRABRS3
SCHEMBL9045635 0.80 EDNRA (0.55) EDNRAEDNRB
SCHEMBL9046624 0.79 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9053901 0.79 EDNRA (0.80) EDNRAEDNRB
SCHEMBL9493332 0.78 EDNRA (0.77) EDNRAEDNRB
SCHEMBL9044684 0.78 EDNRA (0.59) EDNRAEDNRB
SCHEMBL9048076 0.77 KDM4E (0.49) EDNRA

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