SCHEMBL9044869

SCHEMBL9044869

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.55
ALDH1A1 P00352 9/20 0.45
TSHR P16473 3/20 0.45
POLB P06746 2/20 0.45
EDNRB P24530 1/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 4/20 0.42
JAK2 O60674 1/20 0.42
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX12 P18054 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL9047672 0.90 EDNRA (0.53) EDNRAEDNRBGAAMEN1KMT2A
SCHEMBL9045300 0.89 EDNRA (0.58) EDNRAALDH1A1POLBEDNRBHPGD
SCHEMBL9047103 0.87 EDNRA (0.56) EDNRAALDH1A1EDNRBHPGDGAA
SCHEMBL9045584 0.86 EDNRA (0.73) EDNRAALDH1A1EDNRB
SCHEMBL9492514 0.85 EDNRA (0.54) EDNRAEDNRBGAAMEN1KMT2A
SCHEMBL9044456 0.85 EDNRA (0.61) EDNRAEDNRBMEN1KMT2AALOX15
SCHEMBL9045783 0.84 EDNRA (0.78) EDNRAEDNRB
SCHEMBL9044505 0.83 ALDH1A1 (0.44) EDNRAALDH1A1TSHRPOLBEDNRB
SCHEMBL9044533 0.77 EDNRA (0.40) EDNRAALDH1A1TSHRPOLBEDNRB
SCHEMBL9046333 0.76 MAPT (0.45) EDNRAALDH1A1HPGDLMNAMEN1

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