SCHEMBL16870232

SCHEMBL16870232

CCC(CO)N1C(=O)c2cc(C#N)c3c4c(cc(C#N)c(c24)C1=O)C(=O)N(c1ccc(C(=O)NN)cc1)C3=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.37
AOC2 O75106 1/20 0.33
CA9 Q16790 10/20 0.33
CA2 P00918 9/20 0.33
KDM4E B2RXH2 2/20 0.32
CA4 P22748 3/20 0.32
HSD17B10 Q99714 1/20 0.31
CA1 P00915 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CA12 O43570 1/20 0.30
XDH P47989 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL16870275 0.80 PPARG (0.33)
SCHEMBL16870247 0.75 NR1H3 (0.32)
SCHEMBL16601987 0.75 DPP4 (0.39) MEN1KMT2A
SCHEMBL16864319 0.70 PPARA (0.44)
SCHEMBL16866446 0.70 PPARA (0.38) KDM4E
SCHEMBL16866451 0.69 NR1H3 (0.38) CA9CA2KDM4ECA1CA12
SCHEMBL16866469 0.69 TYMS (0.41) TYMSAOC2CA9CA2KDM4E
SCHEMBL16602028 0.68 PGR (0.40) CA9CA2KDM4ECA1CA12
SCHEMBL16866455 0.68 PPARA (0.43)
SCHEMBL16601642 0.67 POLB (0.62) CA9CA2KDM4ECA1MEN1

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-9442401-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and imide compound CANON KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
US-20150185632-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND IMIDE COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-07-02 US disclosed