SCHEMBL9044370

SCHEMBL9044370

C=Cc1ccc(S(=O)(=O)Nc2ncnc(OCCO)c2Cc2ccccc2OC)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.77
EDNRB P24530 10/20 0.46
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
DHPS P49366 1/20 0.43
NR1H3 Q13133 1/20 0.43
NR1I3 Q14994 1/20 0.43

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
SCHEMBL9044668 0.92 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9052066 0.91 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9047114 0.89 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9053901 0.88 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9493332 0.88 EDNRA (0.77) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9046873 0.87 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9046624 0.87 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9045783 0.87 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9045999 0.86 EDNRA (0.85) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9045375 0.84 EDNRA (0.74) EDNRAEDNRBABCC3ABCC4NR1I2

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