SCHEMBL16601698

SCHEMBL16601698

Oc1ccc(N=C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
PLEC Q15149 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 2/20 0.40
RAB9A P51151 1/20 0.39
S100B P04271 1/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 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
SCHEMBL18134597 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9510943 0.80 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL14806769 0.78 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL28417579 0.77 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1NPC1CYP1A2
SCHEMBL28417581 0.77 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
Hydroquinone SCHEMBL28469907 0.77 MEN1 (0.61) ALDH1A1CDK5CDK5R1KMT2AMEN1
SCHEMBL16601755 0.77 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL28420499 0.72 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPC1MAPT
Phenol SCHEMBL94306 0.68 CA12 (0.79) ALDH1A1KMT2AMEN1NPC1CYP3A4
Phenol SCHEMBL28062886 0.68 CA12 (0.79) ALDH1A1KMT2AMEN1NPC1CYP3A4

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-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
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