SCHEMBL9044704

SCHEMBL9044704

COc1ccc(S(=O)(=O)Nc2ncnc(OCCO)c2Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.66
EDNRB P24530 6/20 0.54
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
PIK3CG P48736 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
BMP1 P13497 1/20 0.41

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
SCHEMBL9045035 0.89 EDNRA (0.61) EDNRAEDNRBGAAKMT2A
SCHEMBL9045463 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL9047114 0.87 EDNRA (0.82) EDNRAEDNRBPIK3CG
SCHEMBL9046198 0.84 KMT2A (0.55) EDNRAEDNRBGAAKMT2APTGDR2
SCHEMBL9045999 0.84 EDNRA (0.85) EDNRAEDNRB
SCHEMBL9046873 0.80 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9053901 0.79 EDNRA (0.80) EDNRAEDNRB
SCHEMBL9046624 0.78 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9044668 0.78 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9045783 0.78 EDNRA (0.78) 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