SCHEMBL13301892

SCHEMBL13301892

N#CC(C#N)=c1c(=C(C#N)C#N)c2cc(Cl)ccc2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.41
▸ AHR P35869 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ CYP2A6 P11509 3/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ KIF20A O95235 2/20 0.34
▸ SLC2A1 P11166 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL13694239 0.82 MCL1 (0.47) MCL1KDM4EMEN1MAPTTSHR
SCHEMBL13292073 0.79 PTGES (0.34) AHRPTGESJAK2TBXAS1CYP2A6
SCHEMBL14153895 0.79 KIF11 (0.38) MCL1CYP2A6GABRA1GABRG2GABRB3
SCHEMBL14153894 0.76 KIF11 (0.44) MCL1TSHRSMN1; SMN2
SCHEMBL10296321 0.76 MCL1 (0.48) MCL1KDM4EMEN1MAPTTSHR
SCHEMBL19977161 0.73 AHR (0.54) AHRPTGESJAK2TBXAS1CYP2A6
SCHEMBL21764494 0.73 AHR (0.54) AHRPTGESJAK2TBXAS1CYP2A6
SCHEMBL9174497 0.73 AHR (0.54) AHRPTGESJAK2TBXAS1CYP2A6
SCHEMBL15233537 0.70 KIF11 (0.45) MCL1MEN1MAPTALOX15KMT2A
SCHEMBL23346236 0.69 ALOX5 (0.39) MCL1JAK2KDM4EMEN1MAPT

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 4 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-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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