SCHEMBL3149878

SCHEMBL3149878

N=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.58
HSP90AA1 P07900 1/20 0.51
PTPRC P08575 3/20 0.47
S100A4 P26447 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GPR35 Q9HC97 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45

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
SCHEMBL2028305 0.83 PTPRC (0.44) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL7697682 0.82 S100A4 (0.68) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL55362 0.82 S100A4 (0.62) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL29413355 0.82 S100A4 (0.62) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL11518981 0.81 S100A4 (0.61) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL12943154 0.79 ALDH1A1 (0.46) HPRT1TDP1ALDH1A1GPR35TP53
SCHEMBL6924564 0.79 PTPRC (0.58) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL8988676 0.78 HTT (0.41) HPRT1HSP90AA1TDP1ALDH1A1GPR35
SCHEMBL16601627 0.77 HSP90AA1 (0.64) HPRT1HSP90AA1PTPRCS100A4TDP1
SCHEMBL16656170 0.77 HSP90AA1 (0.64) HPRT1HSP90AA1PTPRCS100A4TDP1

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 44 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
US-5830615-A ELECTRIC CHARGE TRANSFERRING CAPABILITY, COMPATIBILITY, DURABILITY MITA INDUSTRIAL CO., LTD. (JP) 1998-11-03 US claimed
EP-0713148-A1 Naphthylenediamine derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO. LTD. (JP) 1996-05-22 EP claimed
US-6444385-B1 None US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8765337-B2 Multilayer type electrophotographic photoconductor and image forming apparatus KYOCERA MITA CORPORATION (JP) 2014-07-01 US disclosed
EP-1788037-B1 Titanylphthalocyanin crystal, method for preparing the same, and electrophotographic photoreceptor KYOCERA MITA CORP (JP) 2013-01-02 EP disclosed
US-7855286-B2 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA MITA CORPORATION (JP) 2010-12-21 US disclosed
US-20100081073-A1 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA MITA CORPORATION 2010-04-01 US disclosed
US-20070281227-A1 Multilayer type electrophotographic photoconductor and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2007-12-06 US disclosed
CN-1975586-A Titanyl phthalocyanine crystal, process for producing the same, and electrophotographic photoreceptor KYOCERA MITA CORP (JP) 2007-06-06 CN disclosed
EP-1176469-A1 Electrosensitive material Kyocera Mita Corporation (JP) 2002-01-30 EP disclosed
US-20010038960-A1 Electrophotosensitive material and method of producing the same KYOCERA MITA CORPORATION (JP) 2001-11-08 US disclosed
EP-1146396-A2 Method of producing electrophotosensitive material and electrophotosensitive material produced by the method KYOCERA MITA CORPORATION (JP) 2001-10-17 EP disclosed
EP-1093025-A2 Titanyl phthalocyanine crystal and production method of the same, and electrophotosensitive material and production method of the same KYOCERA MITA CORPORATION (JP) 2001-04-18 EP disclosed
US-5830615-A ELECTRIC CHARGE TRANSFERRING CAPABILITY, COMPATIBILITY, DURABILITY MITA INDUSTRIAL CO., LTD. (JP) 1998-11-03 US disclosed
US-5767315-A CHARGE TRANSFER COMPOUNDS MITA INDUSTRIAL CO., LTD. (JP) 1998-06-16 US disclosed
US-5753394-A IMPROVED SOLUBILITY IN SOLVENT AND COMPATABILITY WITH BINDING RESIN MITA INDUSTRIAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0718278-A2 Derivatives of N-phenyl-trinitrofluorenonimine and electron transporting material MITA INDUSTRIAL CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0713148-A1 Naphthylenediamine derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO. LTD. (JP) 1996-05-22 EP disclosed