SCHEMBL6523937

SCHEMBL6523937

N=C1c2ccccc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
STAT6 P42226 1/20 0.47
HIF1A Q16665 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
HSP90AA1 P07900 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
S100A4 P26447 4/20 0.39
PTPRC P08575 3/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.36

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
SCHEMBL149722 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL18138415 0.81 HSP90AA1 (0.46) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL9152162 0.80 HSP90AA1 (0.48) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL8987408 0.78 SMN1; SMN2 (0.44) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL7529447 0.76 S100A4 (0.56) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL11424411 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL9155532 0.75 HSP90AA1 (0.40) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL224588 0.75 S100A4 (0.46) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL4365859 0.74 HPRT1 (0.45) ALDH1A1CYP3A4HSD17B10TP53CYP1A2
SCHEMBL27548148 0.73 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10TP53CYP1A2

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713148-B1 Naphthylenediamine derivative and electrophotosensitive material using the same KYOCERA MITA CORP (JP) 2002-03-13 EP claimed
EP-0690351-B1 Electrophotosensitive Material MITA INDUSTRIAL CO LTD (JP) 1998-08-26 EP claimed
US-5753394-A IMPROVED SOLUBILITY IN SOLVENT AND COMPATABILITY WITH BINDING RESIN MITA INDUSTRIAL CO., LTD. (JP) 1998-05-19 US claimed
US-5705694-A Trinitrofluoroenonimine derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO., LTD. (JP) 1998-01-06 US claimed
EP-0718278-A2 Derivatives of N-phenyl-trinitrofluorenonimine and electron transporting material MITA INDUSTRIAL CO., LTD. (JP) 1996-06-26 EP claimed
EP-0716078-A1 2-Ethyl-3,5,7-trinitrofluorenonimine derivative and use as charge transport MITA INDUSTRIAL CO. LTD. (JP) 1996-06-12 EP claimed
US-5514508-A TRINITROFLUORENONEIMINE CHARGE TRANSFER AGENT, DISAZO PIGMENT CHARGE GENERATING AGENT MITA INDUSTRIAL CO., LTD. (JP) 1996-05-07 US claimed
EP-0690351-A2 Electrophotosensitive Material MITA INDUSTRIAL CO. LTD. (JP) 1996-01-03 EP claimed
JP-7258189-A None JP disclosed
JP-7258188-A None JP disclosed
JP-7325413-A None JP disclosed
JP-7325414-A None JP disclosed
JP-7325415-A None JP disclosed
JP-7325408-A None JP disclosed
JP-H07261430-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR FOR VISIBLE REGION MITA IND CO LTD 1995-10-13 JP disclosed
JP-H07261427-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR FOR VISIBLE REGION MITA IND CO LTD 1995-10-13 JP disclosed
JP-H07258188-A TRINITROFLUORENONEIMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC RECEPTOR MITA IND CO LTD 1995-10-09 JP disclosed
JP-H07258190-A TRINITROFLUORENONEIMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC RECEPTOR MITA IND CO LTD 1995-10-09 JP disclosed
JP-H07258189-A TRINITROFLUORENONEIMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC RECEPTOR MITA IND CO LTD 1995-10-09 JP disclosed
JP-H07233134-A TRINITROFLUORENONE IMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC SENSITIZER MITA IND CO LTD 1995-09-05 JP disclosed