SCHEMBL13302002

SCHEMBL13302002

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.67
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ P2RX1 P51575 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MAP1LC3B Q9GZQ8 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ TRPV1 Q8NER1 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
SCHEMBL2367407 0.81 MCL1 (1.00) MCL1CA1CA2MAP1LC3BTYMS
SCHEMBL14922764 0.81 MCL1 (0.70) MCL1CA1CA2MAP1LC3BCYP1A2
SCHEMBL13302005 0.80 MCL1 (0.43) MCL1RPS6KA3JAK3
SCHEMBL13694210 0.80 MCL1 (0.65) MCL1CA1CA2MAP1LC3B
SCHEMBL13302003 0.78 MCL1 (0.71) MCL1CA1CA2MAP1LC3B
SCHEMBL14922765 0.67 MCL1 (0.67) MCL1CA1CA2TYMSCYP1A2
SCHEMBL14153894 0.66 KIF11 (0.44) MCL1
SCHEMBL12113984 0.66 MCL1 (0.53) MCL1
SCHEMBL15229667 0.64 MCL1 (0.67) MCL1CA1CA2MAP1LC3BCYP1A2
SCHEMBL15229541 0.64 MCL1 (0.67) MCL1CA1CA2MAP1LC3BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745083-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2010-06-29 — — US disclosed
US-20090297218-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-12-03 — — US disclosed
US-7396622-B2 Having a charge generation layer containing a phenanthrene compound, a phenanthroline compound or an acenaphthene compound that has two oxo-, phenylimino- or dicyanovinylene groups that may be the same or different; charge-generating material is preferably hydroxygallium phthalocyanine. CANON KABUSHIKI KAISHA (JP) 2008-07-08 — — US disclosed
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