SCHEMBL1828129

SCHEMBL1828129

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FDPS P14324 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CPA1 P15085 3/20 0.39
CYP2D6 P10635 1/20 0.39
CALM1 P0DP23 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 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
SCHEMBL19610232 0.78 FDPS (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1LMNA
SCHEMBL8331176 0.78 FDPS (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1LMNA
SCHEMBL3293297 0.78 SLC6A2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1LMNA
SCHEMBL19326619 0.78 ALDH1A1 (0.41) SMN1; SMN2TAAR1LMNAALDH1A1CYP1A2
SCHEMBL4371898 0.78 SLC6A2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1LMNA
SCHEMBL3202580 0.77 CYP1A2 (0.45) SMN1; SMN2HIF1ASLC6A2TAAR1LMNA
SCHEMBL14935688 0.77 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL28243868 0.77 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL4362988 0.77 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL19326615 0.75 HDAC3 (0.43) SMN1; SMN2

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
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-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US claimed
EP-3606891-B1 RESONANT ACOUSTIC MIXING (RAM) OF AN EXPLOSIVE COMPOSITION BAE SYSTEMS PLC (GB) 2023-12-06 EP disclosed
US-11814330-B2 Resonant acoustic mixing (RAM) of an explosive composition BAE SYSTEMS PLC (GB) 2023-11-14 US disclosed
US-11802098-B2 Process for making and filling a PBX composition BAE SYSTEMS PLC (GB) 2023-10-31 US disclosed
US-11766809-B2 Method of forming pre-defined recess in cured or cast explosive composition BAE SYSTEMS PLC (GB) 2023-09-26 US disclosed
US-11753353-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-12 US disclosed
US-11746069-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-05 US disclosed
EP-3319928-B1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2022-04-20 EP 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
WO-2017006110-A1 CAST EXPLOSIVE COMPOSITION BAE SYSTEMS PLC (GB) 2017-01-12 WO disclosed
EP-3115348-A1 CAST EXPLOSIVE COMPOSITION BAE Systems PLC (GB) 2017-01-11 EP disclosed
US-20110168306-A1 CAST EXPLOSIVE COMPOSITION BAE SYSTEMS PLC (GB) 2011-07-14 US disclosed
EP-2318330-A1 CAST EXPLOSIVE COMPOSITION BAE Systems PLC (GB) 2011-05-11 EP disclosed
WO-2010023450-A1 CAST EXPLOSIVE COMPOSITION BAE SYSTEMS PLC (GB) 2010-03-04 WO disclosed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US disclosed