SCHEMBL1194233

SCHEMBL1194233

O=[N+]([O-])C(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
FBP1 P09467 4/20 0.38
TSHR P16473 2/20 0.38
KCNN4 O15554 1/20 0.38
CYP19A1 P11511 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NR3C2 P08235 1/20 0.35
PTPN1 P18031 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3037176 0.82 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL114442 0.79 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL28383675 0.79 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL27940628 0.78 ALDH1A1 (0.37) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL10495598 0.77 ALDH1A1 (0.48) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL4613619 0.77 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL2056618 0.77 KCNN4 (0.48) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL1167741 0.77 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL1170985 0.75 ALDH1A1 (0.42) ALDH1A1LMNAFBP1KCNN4KMT2A
SCHEMBL302601 0.75 TSHR (0.46) ALDH1A1LMNAFBP1TSHRKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612633-B Non-combustible quasi-solid electrolyte and lithium secondary battery containing same 纳米技术仪器公司 2023-09-12 CN claimed
CN-110268553-B Flexible and conformal cable-type alkali metal cell 纳米技术仪器公司 2023-09-12 CN claimed
CN-110692152-B Alkali metal cell with deformable quasi-solid electrode material 纳米技术仪器公司 2023-08-15 CN claimed
CN-110582872-B Lithium battery cathode and method of manufacture 纳米技术仪器公司 2023-05-12 CN claimed
CN-111007097-A Quantitative nuclear magnetic hydrogen spectrum valuing method for 2, 6-dinitrotoluene standard substance 西安近代化学研究所 2020-04-14 CN claimed
CN-110289359-A The method for preparing Organic Light Emitting Diode using heat transfer film 谦华科技股份有限公司 2019-09-27 CN claimed
CN-105646552-A Zn(II) complex based on 5-hydroxynictinic acid and preparation method and application thereof 天津师范大学 2016-06-08 CN claimed
CN-105510401-A Method for identifying explosives by using titanium dioxide nanosheet-based gas sensor array XINJIANG TECHNICAL INST PHYSICS & CHEMISTRY CAS 2016-04-20 CN claimed
CN-104407150-B For the biological nano transducer production method that 2,4,6-TNT detects ZHEJIANG UNIVERSITY (CN) 2016-03-30 CN claimed
CN-105334276-A Anti-terrorist safety inspection method and equipment for explosives BEIJING ZHI GAN INST OF SENSOR TECHNOLOGY CO LTD 2016-02-17 CN claimed
CN-1447923-A High energy explosive for seismic methods SCHLUMBERGER TECHNOLOGY CORP (US) 2003-10-08 CN claimed
CN-2525518-Y 14CO2 gas sampler YANGYIHE BIOLOG SCIENCE AND TE (CN) 2002-12-11 CN claimed
CN-1349096-A Electrochemical electrode test piece and manufacturing method thereof YUXIN SCIENCE & TECHNOLOGY CO (CN) 2002-05-15 CN claimed
WO-1998054349-A1 METHOD OF CONTROLLED REDUCTION OF NITROAROMATICS BY ENZYMATIC REACTION WITH OXYGEN SENSITIVE NITROREDUCTASE ENZYMES BATTELLE MEMORIAL INSTITUTE (US) 1998-12-03 WO claimed
EP-0017513-B2 ELECTROPHOTOGRAPHIC MEMBER AND PROCESS FOR FORMING A LATENT IMAGE RANK XEROX LIMITED (GB) 1986-12-30 EP claimed
EP-0025733-B1 PROCESS FOR PURIFYING TRINITRO-2,4,6 TOLUENE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1984-07-25 EP claimed
EP-0017513-B1 ELECTROPHOTOGRAPHIC MEMBER AND PROCESS FOR FORMING A LATENT IMAGE RANK XEROX LIMITED (GB) 1983-01-19 EP claimed
US-4315980-A ELECTRON ACCEPTOR ACTIVATORS FUJI XEROX CO., LTD. (JP) 1982-02-16 US claimed
EP-0025733-A2 Process for purifying trinitro-2,4,6 toluene SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1981-03-25 EP claimed
EP-0017513-A1 Electrophotographic member and process for forming a latent image RANK XEROX LIMITED (GB) 1980-10-15 EP claimed