SCHEMBL12574227

SCHEMBL12574227

CN(C(=O)N(C)c1cccc(C#N)c1)c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
GSK3B P49841 2/20 0.44
KCNN4 O15554 1/20 0.43
KCNA5 P22460 1/20 0.43
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CLK1 P49759 1/20 0.43
NOTUM Q6P988 1/20 0.42
ENPP2 Q13822 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.41
GRM5 P41594 2/20 0.41
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17265581 0.88 MAPK14 (0.45) MAPK14GSK3BKCNN4KCNA5XDH
SCHEMBL12550498 0.87 MAPK14 (0.39) MAPK14GSK3BKCNN4KCNA5XDH
SCHEMBL11361207 0.83 MAPK14 (0.42) MAPK14GSK3BKCNN4KCNA5CLK1
SCHEMBL21776422 0.83 KMT2A (0.46) MAPK14GSK3BKCNN4KCNA5CLK1
SCHEMBL2092641 0.83 PGR (0.46) MAPK14GSK3BKCNN4KCNA5CLK1
SCHEMBL2092638 0.82 GSK3B (0.42) MAPK14GSK3BKCNN4KCNA5CLK1
SCHEMBL29213680 0.82 MAPK14 (0.42) MAPK14GSK3BKCNN4KCNA5CLK1
SCHEMBL2894252 0.82 MAPK14 (0.55) MAPK14GSK3BKCNN4KCNA5KMT2A
SCHEMBL4935241 0.82 PDK1 (0.44) MAPK14GSK3BKCNN4KCNA5SLC22A12
SCHEMBL4863265 0.82 MAPK14 (0.54) MAPK14GSK3BKCNN4KCNA5CLK1

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-8993204-B2 Electrophotographic photosensitive member, method for producing the same, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-20110129768-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD FOR PRODUCING THE SAME, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-06-02 US disclosed