SCHEMBL1828689

SCHEMBL1828689

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 5/20 0.47
CYP3A4 P08684 4/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CCR6 P51684 1/20 0.41
CTSB P07858 1/20 0.40

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
Nitric Acid SCHEMBL11648056 0.94 TSHR (0.44) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL5203798 0.86 CYP1A2 (0.56) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL5202894 0.86 CYP1A2 (0.52) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL2519558 0.85 TSHR (0.55) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL2521402 0.85 ALDH1A1 (0.52) TSHRALDH1A1TDP1CYP3A4RECQL
SCHEMBL32659681 0.83 GRIN2D (0.46) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL2100657 0.83 TSHR (0.55) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL10981846 0.83 TSHR (0.55) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL11598706 0.82 POLB (0.49) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL8415102 0.81 TSHR (0.51) TSHRCYP1A2ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9242906-B2 Melt-cast insensitive explosive composition NEXTER MUNITIONS (FR) 2016-01-26 US claimed
CN-103342649-B 3-amino-2,4,6-trinitro-diphenylethylene compounds and preparation method thereof NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-08-26 CN claimed
WO-2015030730-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-05 WO claimed
CN-103980131-A 1,3,5-tri(3-amino-2,4,6-trinitro styryl) benzene compound and preparation method and application thereof UNIV NANJING SCIENCE & TECH 2014-08-13 CN claimed
CN-103980130-A 1,4-di(3-amino-2,4,6-trinitrostyryl) benzene compound, and preparation method and application thereof UNIV NANJING SCIENCE & TECH 2014-08-13 CN claimed
US-20120305149-A1 MELT-CAST INSENSITIVE EXPLOSIVE COMPOSITION NEXTER MUNITIONS (FR) 2012-12-06 US claimed
EP-0814069-B1 Meltable/castable explosive composition with reduced sensitivity GIAT IND SA (FR) 2002-03-27 EP claimed
EP-0814069-A1 Meltable/castable explosive composition with reduced sensitivity GIAT INDUSTRIES (FR) 1997-12-29 EP 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 disclosed
US-10309212-B2 Energetic cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-06-04 US disclosed
CN-108997132-A A kind of fluoro- 1,3,5- triamido -4,6- dinitrobenzene of heat resistive compounds 2- and preparation method thereof 信阳师范学院 2018-12-14 CN disclosed
EP-2516355-B1 FUSIBLE/CASTABLE EXPLOSIVE COMPOSITION HAVING LOW VULNERABILITY NEXTER MUNITIONS (FR) 2017-08-23 EP disclosed
US-4217271-A Basic azo dyestuffs containing a n-picolinium alkylene amino phenyl group IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US disclosed
US-4169705-A Coloration process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-02 US disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed
US-4153413-A DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-08 US disclosed
US-4134723-A DYEING AROMATIC POLYESTER/POLYAMIDE OR AROMATIC POLYESTER/CELLULOSE BLENDS WITH DISPERSE MONOAZO DYE, ALKALINE BATH IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-01-16 US disclosed