SCHEMBL3293306

SCHEMBL3293306

O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc3cccc4ccc1c2c43

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.56
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 4/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP6 P55212 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 1/20 0.42
HPGD P15428 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 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
Pyrene SCHEMBL28292596 0.95 HPRT1 (0.51) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL28796982 0.91 HPRT1 (0.51) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL2165535 0.88 HPRT1 (0.49) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL17644432 0.88 HPRT1 (0.49) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL3817515 0.87 TDP1 (0.56) HPRT1ALDH1A1TDP1TSHRMAPT
1-Nitropyrene SCHEMBL29450697 0.86 ALDH1A1 (0.57) HPRT1ALDH1A1TDP1TSHRMAPT
1-Nitropyrene SCHEMBL339725 0.86 ALDH1A1 (0.57) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL16593674 0.86 HPRT1 (0.49) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL29403406 0.86 HPRT1 (0.49) HPRT1ALDH1A1TDP1TSHRMAPT
SCHEMBL28477123 0.85 HPRT1 (0.48) HPRT1ALDH1A1TDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114686215-B Fluorescent material and preparation method and application thereof TCL科技集团股份有限公司 2024-06-14 CN claimed
CN-114686215-A Fluorescent material and preparation method and application thereof TCL科技集团股份有限公司 2022-07-01 CN claimed
CN-113960220-B Synchronous detection method and application of polycyclic aromatic hydrocarbon and derivatives thereof in blood 生态环境部华南环境科学研究所 2022-03-04 CN claimed
CN-113960220-A Synchronous detection method and application of polycyclic aromatic hydrocarbon and derivatives thereof in blood 生态环境部华南环境科学研究所 2022-01-21 CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
EP-4263724-B1 PROCESS FOR PRODUCING CARBON BLACKS WITH REDUCED POLYCYCLIC AROMATIC HYDROCARBON CONTENT UTILIZING SUPERCRITICAL FLUID EXTRACTION ORION ENG CARBONS IP GMBH & CO KG (DE) 2026-04-15 EP disclosed
WO-2025124901-A1 PROCESS FOR PRODUCING PURIFIED CARBON BLACKS WITH REDUCED CONTENT OF OXIDIZED POLYCYCLIC AROMATIC HYDROCARBONS ORION ENGINEERED CARBONS IP GMBH & CO. KG (DE) 2025-06-19 WO disclosed
WO-2025098667-A1 ALKALINE CARBON BLACK, PREPARATION THEREOF AND COMPOSITIONS AND ARTICLES CONTAINING THE SAME ORION ENGINEERED CARBONS IP GMBH & CO. KG (DE) 2025-05-15 WO disclosed
EP-4549505-A1 ALKALINE CARBON BLACK, PREPARATION THEREOF AND COMPOSITIONS AND ARTICLES CONTAINING THE SAME Orion Engineered Carbons GmbH (DE) 2025-05-07 EP disclosed
CN-119864417-A Application method of multi-active-point pyrenyl fused ring compound in primary battery 南开大学 2025-04-22 CN disclosed
CN-114686215-B Fluorescent material and preparation method and application thereof TCL科技集团股份有限公司 2024-06-14 CN disclosed
US-20150090343-A1 INNOVATION TO ASSAY MIXING BIO-RAD LABORATORIES, INC. 2015-04-02 US disclosed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US disclosed
US-7570055-B1 Molecular identification and electron resonance system and method THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2009-08-04 US disclosed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US disclosed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US disclosed
EP-1707959-A1 DEVICE AND METHOD FOR ANALYZING POLYCYCLIC AROMATIC HYDROCARBON HAVING NITRO GROUP IN DIESEL PARTICULATE ISUZU MOTORS LIMITED (JP) 2006-10-04 EP disclosed
US-20060210442-A1 Apparatus and method for analyzing nitropolycyclic aromatic hydrocarbon contained in diesel particulate ISUZU MOTORS LIMITED (JP) 2006-09-21 US disclosed