SCHEMBL3305172

SCHEMBL3305172

CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.50
GPR35 Q9HC97 5/20 0.50
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL30613334 1.00 MAPT (0.51) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL18676404 0.87 GPR35 (0.56) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL9501864 0.83 GPR35 (0.57) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL2218947 0.82 ALDH1A1 (0.59) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL13265018 0.82 KMT2A (0.54) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL3284881 0.81 LMNA (0.44) MAPTTDP1L3MBTL1ALDH1A1GPR35
Potassium Ion SCHEMBL11543057 0.80 ALDH1A1 (0.57) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL11543051 0.80 ALDH1A1 (0.57) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL5712996 0.80 ALDH1A1 (0.57) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL5712997 0.80 ALDH1A1 (0.57) MAPTTDP1MAPK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768731-A Application and preparation method of N-methyl-2, 4, 6-trinitroaniline 西南科技大学 2023-09-19 CN claimed
EP-2318331-B1 PROCESS FOR TASKING AN EXPLOSIVE MATERIAL OF REDUCED VULNERABILITY AND MATERIAL EMPLOYED IN SUCH A PROCESS NEXTER MUNITIONS (FR) 2020-04-08 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-10309212-B2 Energetic cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-06-04 US claimed
EP-2516355-B1 FUSIBLE/CASTABLE EXPLOSIVE COMPOSITION HAVING LOW VULNERABILITY NEXTER MUNITIONS (FR) 2017-08-23 EP claimed
US-20160177698-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-06-23 US claimed
WO-2015030730-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-05 WO claimed
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 US claimed
US-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 US claimed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP claimed
EP-0814069-B1 Meltable/castable explosive composition with reduced sensitivity GIAT IND SA (FR) 2002-03-27 EP claimed
CN-116768731-A Application and preparation method of N-methyl-2, 4, 6-trinitroaniline 西南科技大学 2023-09-19 CN disclosed
CN-116768731-A Application and preparation method of N-methyl-2, 4, 6-trinitroaniline 西南科技大学 2023-09-19 CN disclosed
CN-116768731-A Application and preparation method of N-methyl-2, 4, 6-trinitroaniline 西南科技大学 2023-09-19 CN disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
EP-1584610-A2 Explosive composition Giat Industries (FR) 2005-10-12 EP disclosed
EP-0814069-B1 Meltable/castable explosive composition with reduced sensitivity GIAT IND SA (FR) 2002-03-27 EP disclosed
EP-0814069-A1 Meltable/castable explosive composition with reduced sensitivity GIAT INDUSTRIES (FR) 1997-12-29 EP disclosed
US-4523967-A PARTIAL ESTER OF A POLYHYDRIC ALCOHOL AND TALL OIL FATTY ACID HERCULES INCORPORATED (US) 1985-06-18 US 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