SCHEMBL2699746

SCHEMBL2699746

O=C1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 1.00
ACHE P22303 2/20 1.00
CES1 P23141 2/20 1.00
S100A4 P26447 5/20 0.50
PTPRC P08575 4/20 0.47
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
STAT6 P42226 1/20 0.42

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
SCHEMBL5958783 0.83 BCHE (0.68) BCHEACHECES1HIF1AHSD17B10
SCHEMBL4150369 0.81 BCHE (0.68) BCHEACHECES1S100A4PTPRC
SCHEMBL12393416 0.81 BCHE (0.68) BCHEACHECES1S100A4PTPRC
SCHEMBL28088070 0.80 BCHE (0.65) BCHEACHECES1HIF1AHSD17B10
Hydrochloric Acid SCHEMBL28070977 0.80 BCHE (0.65) BCHEACHECES1HIF1AHSD17B10
SCHEMBL7709662 0.78 KMT2A (0.69) BCHEACHECES1HIF1ACYP1A2
SCHEMBL14257646 0.78 MEN1 (0.69) BCHEACHECES1S100A4PTPRC
SCHEMBL4612945 0.77 CES1 (0.59) BCHEACHECES1S100A4PTPRC
SCHEMBL22129166 0.75 BCHE (0.59) BCHEACHECES1S100A4CYP3A4
SCHEMBL27874944 0.75 BCHE (0.59) BCHEACHECES1S100A4PTPRC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507162-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-08-13 US disclosed
EP-2447781-B1 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KK (JP) 2013-01-16 EP disclosed
US-20120107735-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-05-03 US disclosed
EP-2447781-A1 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus Canon Kabushiki Kaisha (JP) 2012-05-02 EP disclosed
US-7745083-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2010-06-29 US disclosed
US-20090297218-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed
US-7592113-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2009-09-22 US disclosed
US-20080233499-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-09-25 US disclosed
US-7396622-B2 Having a charge generation layer containing a phenanthrene compound, a phenanthroline compound or an acenaphthene compound that has two oxo-, phenylimino- or dicyanovinylene groups that may be the same or different; charge-generating material is preferably hydroxygallium phthalocyanine. CANON KABUSHIKI KAISHA (JP) 2008-07-08 US disclosed
WO-2008025941-A2 COMPOUNDS FOR IMAGING AND THERAPY ISIS INNOVATION LIMITED (GB) 2008-03-06 WO disclosed