SCHEMBL9493604

SCHEMBL9493604

CCc1ccc(S(=O)(=O)Nc2ncnc(Cl)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.51
EDNRB P24530 3/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
UCHL1 P09936 1/20 0.48
KIT P10721 2/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL9045052 0.92 MEN1 (0.55) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9043805 0.91 EDNRA (0.49) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9045446 0.89 KIT (0.48) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9053125 0.89 EDNRA (0.47) EDNRAEDNRBKMT2AMAPTUCHL1
SCHEMBL9046709 0.88 ALDH1A1 (0.60) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9045149 0.86 NPSR1 (0.51) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9046700 0.85 EDNRA (0.49) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9493462 0.84 EDNRB (0.44) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL9047567 0.84 EDNRA (0.51) EDNRAEDNRBKMT2AMEN1ALDH1A1
SCHEMBL6785011 0.84 EDNRA (0.67) EDNRAEDNRBKMT2AMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed