SCHEMBL9047103

SCHEMBL9047103

COc1ccccc1Cc1c(Cl)ncnc1NS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.56
EDNRB P24530 4/20 0.45
ALOX12 P18054 5/20 0.43
ESR1 P03372 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9045300 0.90 EDNRA (0.58) EDNRAEDNRBALOX12GAANFE2L2
SCHEMBL9047672 0.89 EDNRA (0.53) EDNRAEDNRBALOX12ESR1GAA
SCHEMBL9047760 0.88 EDNRA (0.42) EDNRAEDNRBALOX12ESR1MEN1
SCHEMBL9045564 0.87 EDNRA (0.43) EDNRAEDNRBALOX12ESR1MEN1
SCHEMBL9044869 0.87 EDNRA (0.55) EDNRAEDNRBALOX12GAAALOX15
SCHEMBL9045584 0.87 EDNRA (0.73) EDNRAEDNRBALDH1A1
SCHEMBL9492514 0.86 EDNRA (0.54) EDNRAEDNRBALOX12ESR1GAA
SCHEMBL9044456 0.86 EDNRA (0.61) EDNRAEDNRBALOX15NFE2L2MEN1
SCHEMBL9046624 0.85 EDNRA (0.78) EDNRAEDNRBALOX12
SCHEMBL9044533 0.84 EDNRA (0.40) EDNRAEDNRBNFE2L2MEN1KMT2A

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 3 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 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