SCHEMBL6400982

SCHEMBL6400982

CS(=O)(=O)c1cc(C#N)c(C#N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
EPAS1 Q99814 3/20 0.34
USP8 P40818 1/20 0.32
USP7 Q93009 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
SCHEMBL6405238 0.79 XDH (0.37) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27224484 0.78 L3MBTL1 (0.48) KDM4ECYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL17088288 0.78 L3MBTL1 (0.42) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6400979 0.76 ALDH1A1 (0.34) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8255487 0.73 RAD51 (0.44) KDM4EL3MBTL1ALDH1A1GAAEPAS1
SCHEMBL18229960 0.73 TRPV4 (0.43) KDM4EL3MBTL1ALDH1A1GAAEPAS1
SCHEMBL22046331 0.73 L3MBTL1 (0.52) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6832200 0.73 KDM4E (0.65) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6401042 0.73 ALDH1A1 (0.62) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29420723 0.72 KDM4E (0.48) KDM4ECYP3A4CYP2C9CYP2C19ALDH1A1

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