SCHEMBL6400979

SCHEMBL6400979

CS(=O)(=O)c1cc(C#N)c(C#N)cc1[NH]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
EPAS1 Q99814 7/20 0.34
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
KDM4E B2RXH2 3/20 0.32
AR P10275 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL6405236 0.79 XDH (0.37) ALDH1A1HTTUSP8USP7KDM4E
SCHEMBL17088288 0.78 L3MBTL1 (0.42) ALDH1A1HTTEPAS1KDM4ECYP3A4
SCHEMBL6400982 0.76 KDM4E (0.38) ALDH1A1HTTEPAS1USP8USP7
SCHEMBL6402924 0.73 KDM4E (0.58) ALDH1A1HTTUSP8USP7KDM4E
SCHEMBL20182621 0.68 EPAS1 (0.38) ALDH1A1EPAS1KDM4ECYP3A4CYP2D6
SCHEMBL15492097 0.67 USP8 (0.38) ALDH1A1HTTUSP8USP7KDM4E
SCHEMBL31704237 0.67 TRPV4 (0.39) EPAS1
SCHEMBL514821 0.67 ALDH1A1 (0.63) ALDH1A1HTT
SCHEMBL15228357 0.67 PIK3CD (0.44) ALDH1A1HTTEPAS1USP8USP7
SCHEMBL10164103 0.67 RAD51 (0.45) ALDH1A1HTTEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed