SCHEMBL9045446

SCHEMBL9045446

CCCCc1ccc(S(=O)(=O)Nc2ncnc(Cl)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.48
EDNRA P25101 2/20 0.48
KDM4E B2RXH2 1/20 0.47
BACE1 P56817 1/20 0.47
EDNRB P24530 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
AKT1 P31749 2/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9043805 0.94 EDNRA (0.49) KITEDNRAKDM4EEDNRBMEN1
SCHEMBL9493604 0.89 EDNRA (0.51) KITEDNRAEDNRBMEN1ALDH1A1
SCHEMBL9045052 0.88 MEN1 (0.55) EDNRAEDNRBMEN1ALDH1A1MAPT
SCHEMBL9046709 0.84 ALDH1A1 (0.60) KITEDNRAEDNRBMEN1ALDH1A1
SCHEMBL9045118 0.83 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7974338 0.82 EDNRA (0.41) EDNRAEDNRBMEN1ALDH1A1MAPT
SCHEMBL9045149 0.82 NPSR1 (0.51) KITEDNRAKDM4EEDNRBMEN1
SCHEMBL9046700 0.81 EDNRA (0.49) KITEDNRAEDNRBMEN1ALDH1A1
SCHEMBL9047567 0.80 EDNRA (0.51) KITEDNRAKDM4EEDNRBMEN1
SCHEMBL6785011 0.80 EDNRA (0.67) EDNRAKDM4EEDNRBMEN1ALDH1A1

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