SCHEMBL515657

SCHEMBL515657

O=[N+]([O-])NCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 5/20 0.47
TDP1 Q9NUW8 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
GPR35 Q9HC97 5/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28385538 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL11774795 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL9318057 0.77 ALDH1A1 (0.59) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL8744302 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL4000997 0.74 HTT (0.53) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL7497845 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL11323967 0.74 GPR35 (0.50) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL28252618 0.74 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL27479646 0.72 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1TDP1MEN1
SCHEMBL9292425 0.71 CYP1A2 (0.64) ALDH1A1KMT2AMAPK1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12436135-B2 Analytical process for detecting peroxide-, nitrate-, nitramine-, and nitrotoluene-based explosives CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2025-10-07 US claimed
EP-4073505-B1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, NITRATE-, NITRAMINE- AND NITROTOLUENE-BASED EXPLOSIVES UNIV KIEL CHRISTIAN ALBRECHTS (DE) 2025-02-19 EP claimed
US-11656213-B2 Fluorescent dye films for detecting NOx-based explosives in the air, in solutions, and from wipe samples INSTITUT DR. FOERSTER GMBH & CO. KG (DE) 2023-05-23 US claimed
CN-111471049-B Organic fluorescent molecular cage compound and preparation method thereof 上海市刑事科学技术研究院 2022-10-14 CN claimed
US-20220308027-A1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, HALOGEN OXOANION-, NITRATE-, NITRAMINE-, AND NITROTOLUENE-BASED EXPLOSIVES CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2022-09-29 US claimed
CN-110487815-B Explosive crystal internal defect quantitative characterization method based on laser scattering technology 中国工程物理研究院化工材料研究所 2021-10-29 CN claimed
WO-2021198249-A1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, HALOGEN OXOANION-, NITRATE-, NITRAMINE- AND NITROTOLUENE-BASED EXPLOSIVES CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2021-10-07 WO claimed
EP-3889599-A1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, NITRATE- AND NITRAMINE-BASED EXPLOSIVES Christian-Albrechts-Universität zu Kiel (DE) 2021-10-06 EP claimed
US-9789434-B1 Systems and methods for gas pre-separation for detection of substances MORPHO DETECTION, LLC (US) 2017-10-17 US claimed
EP-3225988-A1 SYSTEMS AND METHODS FOR GAS PRE-SEPARATION FOR DETECTION OF SUBSTANCES Morpho Detection, LLC (US) 2017-10-04 EP claimed
US-5736669-A FOR IN SITU REMEDIATING OF AN EXPLOSIVE IF THE EXPLOSIVE FAILS TO DETONATE THE ENSIGN-BICKFORD COMPANY (US) 1998-04-07 US claimed
EP-0825074-A2 Air bag inflator TRW INC. (US) 1998-02-25 EP claimed
WO-1996037265-A2 METHOD FOR SAFELY DISPOSING OF PROPELLANT AND EXPLOSIVE MATERIALS AND FOR PREPARING FERTILIZER COMPOSITIONS ARCTECH INC. (US) 1996-11-28 WO claimed
WO-1996033394-A1 ACID TEST KIT MAINSTREAM ENGINEERING CORPORATION (US) 1996-10-24 WO claimed
US-5538530-A Method for safely disposing of propellant and explosive materials and for preparing fertilizer compositions ARCTECH INC. (US) 1996-07-23 US claimed
US-5085717-A Generate reducing gases; smokeless SNPE MATERIAUX ENERGETIQUES (FR) 1992-02-04 US claimed
US-4618452-A Spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1986-10-21 US claimed
US-4389265-A Breakdown of solid propellants and explosives, recovery of nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1983-06-21 US claimed
US-4025591-A ACRYLIC ESTER CURING MONOMER, ORGANIC PEROXIDE CATALYST JET RESEARCH CENTER, INC. (US) 1977-05-24 US claimed
US-3996080-A LEAD AND TIN OXIDES IN NITRAMINE PROPELLANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-12-07 US claimed