SCHEMBL7529447

SCHEMBL7529447

N=C1c2ccccc2-c2cccc([N+](=O)[O-])c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 3/20 0.56
PTPRC P08575 1/20 0.56
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1559811 0.84 S100A4 (0.75) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL161290 0.79 S100A4 (0.73) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL32670296 0.79 S100A4 (0.79) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL6364877 0.79 S100A4 (0.79) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9257330 0.76 S100A4 (0.77) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL6523937 0.76 ALDH1A1 (0.47) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL30987815 0.75 ALDH1A1 (0.71) S100A4PTPRCKMT2ATDP1ALDH1A1
SCHEMBL29337140 0.75 ALDH1A1 (0.71) S100A4PTPRCKMT2ATDP1ALDH1A1
SCHEMBL18138396 0.75 S100A4 (0.53) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL3039191 0.75 TDP1 (0.67) S100A4PTPRCMAPTRECQLKMT2A

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 12 patents. 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-0716078-A1 2-Ethyl-3,5,7-trinitrofluorenonimine derivative and use as charge transport MITA INDUSTRIAL CO. LTD. (JP) 1996-06-12 EP claimed
JP-7258191-A None JP disclosed
JP-7261428-A None JP disclosed
JP-7309824-A None JP disclosed
US-20020182524-A1 Electrophotosensitive material KYOCERA MITA CORPORATION (JP) 2002-12-05 US disclosed
EP-1241529-A2 Electrophotosensitive material Kyocera Mita Corporation (JP) 2002-09-18 EP disclosed
US-5705694-A Trinitrofluoroenonimine derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO., LTD. (JP) 1998-01-06 US disclosed
EP-0716078-A1 2-Ethyl-3,5,7-trinitrofluorenonimine derivative and use as charge transport MITA INDUSTRIAL CO. LTD. (JP) 1996-06-12 EP disclosed
JP-H07309824-A TRINITROFLUORENONE IMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC RECEPTOR MITA IND CO LTD 1995-11-28 JP disclosed
JP-H07261428-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR FOR VISIBLE REGION MITA IND CO LTD 1995-10-13 JP disclosed
JP-H07258191-A MONONITROFLUORENONEIMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC RECEPTOR MITA IND CO LTD 1995-10-09 JP disclosed