SCHEMBL13694210

SCHEMBL13694210

N#CC(C#N)=c1c(=O)c2cccc3cc(CF)cc1c32

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.65
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ AKR1B1 P15121 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ INPPL1 O15357 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL13302002 0.80 MCL1 (0.67) MCL1CA1CA2MAP1LC3B
SCHEMBL2367407 0.80 MCL1 (1.00) MCL1KDM4ETDP1CA1CA2
SCHEMBL14922764 0.80 MCL1 (0.70) MCL1KDM4ETDP1CA1CA2
SCHEMBL13302003 0.77 MCL1 (0.71) MCL1CA1CA2MAP1LC3B
SCHEMBL14922765 0.66 MCL1 (0.67) MCL1KDM4ETDP1CA1CA2
SCHEMBL16601998 0.66 MCL1 (0.47) MCL1
SCHEMBL12113984 0.65 MCL1 (0.53) MCL1KDM4E
SCHEMBL16602012 0.65 MCL1 (0.52) MCL1
SCHEMBL16602007 0.65 MCL1 (0.56) MCL1
SCHEMBL16602019 0.63 MCL1 (0.53) MCL1

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-7592113-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2009-09-22 — — US disclosed
US-20080233499-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-09-25 — — US disclosed
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