SCHEMBL16601628

SCHEMBL16601628

Cc1ccc2c(c1)/C(=N/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.52
MAPT P10636 4/20 0.50
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
ACHE P22303 3/20 0.41
TSHR P16473 2/20 0.41
PTPRC P08575 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MCL1 Q07820 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
S100A4 P26447 1/20 0.41
TTR P02766 2/20 0.40

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
SCHEMBL14922781 0.89 MAPT (0.54) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL12111782 0.82 HSP90AA1 (0.53) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL11786497 0.77 MAPT (0.68) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL11786504 0.77 MAPT (0.68) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL16601719 0.76 MAPT (0.46) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL4402246 0.73 ALDH1A1 (0.50) HSP90AA1MAPTTDP1KMT2AMEN1
SCHEMBL11781110 0.73 MAPT (0.62) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL11782222 0.72 MAPT (0.61) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL11781591 0.72 MAPT (0.61) HSP90AA1MAPTCDK5CDK5R1NCOA1
SCHEMBL11781585 0.72 MAPT (0.61) HSP90AA1MAPTCDK5CDK5R1NCOA1

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