SCHEMBL4363316

SCHEMBL4363316

O=C(c1ccccc1)C([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
LMNA P02545 1/20 0.47
MDM2 Q00987 1/20 0.44
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
PRMT1 Q99873 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10353222 0.81 TDP1 (0.47) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL6652948 0.81 CES2 (0.50) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL571674 0.79 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10580248 0.79 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL599311 0.79 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL23706328 0.79 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL4873699 0.79 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL6081855 0.79 PGR (0.46) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL3645803 0.79 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL29054461 0.79 CES1 (0.61) TDP1L3MBTL1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108840827-A The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof 同济大学 2018-11-20 CN claimed
EP-2812316-A2 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES Kao Corporation (JP) 2014-12-17 EP claimed
WO-2013171535-A2 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES KAO CORPORATION (JP) 2013-11-21 WO claimed
CN-101735083-A Method for synthesizing dye intermediate of 2-amino-3,5-dinitroacetophenone UNIV YANGZHOU 2010-06-16 CN claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
CN-114805224-B Ligustrazine chalcone derivative and preparation method and application thereof 山东大学 2024-03-22 CN disclosed
CN-117130224-A Positive photoresist composition for organic insulating film of liquid crystal display element 烟台希尔德材料科技有限公司 2023-11-28 CN disclosed
CN-219121182-U Serpentine glass condenser with collision damage prevention component 山东沾化万源医化有限公司 2023-06-02 CN disclosed
CN-219121182-U Serpentine glass condenser with collision damage prevention component 山东沾化万源医化有限公司 2023-06-02 CN disclosed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP disclosed
CN-1490301-A Disproportionation of nitro aromatic compounds 清华大学 2004-04-21 CN disclosed
CN-1069633-C Iodo-substituted X-ray contrast agents NYCOMED IMAGING AS (NO) 2001-08-15 CN disclosed
CN-1166826-A Iodo-substituted X-ray contrast agents NYCOMED IMAGING AS (NO) 1997-12-03 CN disclosed
US-4248873-A Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed