SCHEMBL16601695

SCHEMBL16601695

O=C1/C(=N\c2ccccc2CCO)c2cccc3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
MCL1 Q07820 1/20 0.43
PABPC1 P11940 3/20 0.42
DNMT1 P26358 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MAPT P10636 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RAB9A P51151 2/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
POLB P06746 3/20 0.39

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
SCHEMBL15764219 0.85 KMT2A (0.32) KMT2A
SCHEMBL16601687 0.85 KMT2A (0.32) KMT2A
SCHEMBL16601993 0.75 MAPT (0.39) ALDH1A1PABPC1CYP3A4CASP1CASP7
SCHEMBL15764212 0.75 S100A4 (0.45) ALDH1A1MAPTHPGD
SCHEMBL2234891 0.75 PABPC1 (0.40) ALDH1A1CES2BCHECES1MCL1
SCHEMBL2234882 0.75 PABPC1 (0.40) ALDH1A1CES2BCHECES1MCL1
SCHEMBL16601688 0.73 MAPT (0.37) ALDH1A1PABPC1CYP3A4CASP1CASP7
SCHEMBL16601740 0.72
SCHEMBL15764221 0.72
SCHEMBL29283592 0.71 ALDH1A1 (0.57) ALDH1A1CES2BCHECES1MCL1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed