SCHEMBL16656209

SCHEMBL16656209

Nc1ccc(-c2ccc3c(c2)C(=Nc2ccc4ccccc4c2)c2ccccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CYP3A4 P08684 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
GSTP1 P09211 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PDK2 Q15119 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL16601722 1.00 ALDH1A1 (0.43) ALDH1A1CDK5CDK5R1CYP3A4HSD17B10
SCHEMBL28633665 0.73 CYP3A4 (0.56) ALDH1A1CYP3A4HSD17B10GSTP1ESR1
SCHEMBL6537114 0.73 CYP3A4 (0.65) ALDH1A1CYP3A4HSD17B10GSTP1ESR1
SCHEMBL29441264 0.73 CYP3A4 (0.65) ALDH1A1CYP3A4HSD17B10GSTP1ESR1
SCHEMBL28528867 0.73 CYP3A4 (0.65) ALDH1A1CYP3A4HSD17B10GSTP1ESR1
SCHEMBL28981808 0.73 CYP3A4 (0.65) ALDH1A1CYP3A4HSD17B10GSTP1ESR1
SCHEMBL16671216 0.69 CYP3A4 (0.50) ALDH1A1CYP3A4HSD17B10GSTP1ESR1
SCHEMBL12412502 0.68 RAB9A (0.66) ALDH1A1CYP3A4HSD17B10HTR3EHTR3B
SCHEMBL11891993 0.68 RAB9A (0.66) ALDH1A1CYP3A4HSD17B10HTR3EHTR3B
SCHEMBL14280920 0.68 RAB9A (0.66) ALDH1A1CYP3A4HSD17B10HTR3EHTR3B

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
EP-2680077-B1 Electrophotographic photosensitive member, process catridge, and electrophotographic apparatus CANON KK (JP) 2015-10-28 EP disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed