SCHEMBL187342

SCHEMBL187342

O=[N+]([O-])C(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.52
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 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
SCHEMBL5610245 0.80 CPA1 (0.50) CPA1CYP1A2EPHX1ALPIPKM
SCHEMBL5609130 0.78 CPA1 (0.49) CPA1CYP1A2EPHX1ALPIPKM
SCHEMBL5609129 0.78 CPA1 (0.49) CPA1CYP1A2EPHX1ALPIPKM
SCHEMBL8977879 0.78 ANPEP (0.43) CPA1CYP1A2PKMALDH1A1TAAR1
SCHEMBL1204735 0.78 EPHX1 (0.52) CPA1EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL3289735 0.78 CPA1 (0.49) CPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL11036512 0.78 CPA1 (0.49) CPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL9624229 0.78 CPA1 (0.49) CPA1CYP1A2EPHX1ALPIPKM
SCHEMBL10455739 0.78 SLC7A5 (0.46) CYP1A2SLC7A5ALDH1A1SLC6A2TAAR1
SCHEMBL8124999 0.78 CPA1 (0.49) CPA1CYP1A2EPHX1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995289-B2 Gasoline product containing combustion improver and manufacturing method therefor ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2021-05-04 US claimed
US-20170335212-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2017-11-23 US claimed
EP-3216845-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR Zhou, Xiangjin (CN) 2017-09-13 EP claimed
CN-107109265-A Gasoline product containing combustion improver and its production method 周向进 2017-08-29 CN claimed
US-7435319-B2 Process for the mild distillative separation of mixtures LANXESS DEUTSCHLAND GMBH (DE) 2008-10-14 US claimed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US claimed
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 CN disclosed
CN-114539064-A Synthesis method of 4-nitrophenylethane 南通大学 2022-05-27 CN disclosed
US-10995289-B2 Gasoline product containing combustion improver and manufacturing method therefor ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2021-05-04 US disclosed
US-20170335212-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
EP-3216845-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR Zhou, Xiangjin (CN) 2017-09-13 EP disclosed
CN-107109265-A Gasoline product containing combustion improver and its production method 周向进 2017-08-29 CN disclosed
EP-1692297-B1 NITROREDUCTASE BIOSENSORS FOR DETECTING NITRO-COMPOUNDS UNIV WALES BANGOR (GB) 2012-01-04 EP disclosed
EP-1362625-A1 Process for carefully separating a substance mixture by distillation Bayer Aktiengesellschaft (DE) 2003-11-19 EP disclosed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
EP-0410684-B1 Method of condensing N-phenylcarbamates ENICHEM SINTESI (IT) 1994-11-30 EP disclosed
US-5079383-A With A Methylating Agent Using A Zinc Halide Catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-07 US disclosed
EP-0410684-A2 Method of condensing N-phenylcarbamates ENICHEM SYNTHESIS S.p.A. (IT) 1991-01-30 EP disclosed
US-4251301-A 1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEXANE OR 1,3,5,7-TETRANITRO-1,3,5,7-TETRAAZACYCLOOCTANE WITH 1,3,6,8-TETRANITROCARBAZOLE OR 2,4,6,2',4',6'-HEXANITROOXANILIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-02-17 US disclosed