SCHEMBL16601779

SCHEMBL16601779

O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccccc1CCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.55
HPRT1 P00492 1/20 0.45
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
PTPRC P08575 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL15764222 1.00 HSP90AA1 (0.55) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL11785118 0.84 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL11785113 0.84 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL11783427 0.81 HSP90AA1 (0.60) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL11783421 0.81 HSP90AA1 (0.60) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL16601756 0.81 HSP90AA1 (0.60) HSP90AA1HPRT1MAPTMAPK1L3MBTL1
SCHEMBL9147864 0.79 HSP90AA1 (0.61) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL7765421 0.78 HSP90AA1 (0.60) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL11694416 0.78 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTMAPK1TDP1
SCHEMBL11694409 0.78 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTMAPK1TDP1

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