SCHEMBL13694239

SCHEMBL13694239

N#CC(C#N)=c1c(=C(C#N)C#N)c2ccccc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ IDO1 P14902 1/20 0.33
▸ APP P05067 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ HPRT1 P00492 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ IMPDH2 P12268 1/20 0.31
▸ IMPDH1 P20839 1/20 0.31
▸ TRPM4 Q8TD43 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CA1 P00915 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
SCHEMBL10296321 0.92 MCL1 (0.48) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14153895 0.82 KIF11 (0.38) MCL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13301892 0.82 MCL1 (0.41) MCL1KDM4EMEN1KMT2AMAPT
SCHEMBL14139696 0.81 MCL1 (0.42) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14153894 0.80 KIF11 (0.44) MCL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL14468736 0.78 MCL1 (0.43) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13228720 0.77 MCL1 (0.39) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14139693 0.77 MCL1 (0.39) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13351202 0.77 MCL1 (0.39) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14139694 0.74 ACHE (0.37) MCL1ALDH1A1KDM4EMEN1KMT2A

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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