SCHEMBL314000

SCHEMBL314000

Cc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
CYP3A4 P08684 4/20 0.61
ALDH1A1 P00352 3/20 0.61
RECQL P46063 1/20 0.61
TDP1 Q9NUW8 6/20 0.54
ALOX15 P16050 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CCR6 P51684 1/20 0.50
MAPK1 P28482 1/20 0.50
GPR35 Q9HC97 1/20 0.45
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCL1 Q07820 1/20 0.42

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
SCHEMBL629679 0.89 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL13176891 0.89 TSHR (0.60) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL1330407 0.89 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL11095264 0.87 ALOX15 (0.58) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL12950315 0.86 TSHR (0.52) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL29878242 0.86 TSHR (0.52) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL13941262 0.84 TSHR (0.50) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL11098649 0.82 TSHR (0.49) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL3921406 0.82 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL27801299 0.82 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652912-A Preparation and application of nitroreductase recombinant plasmid 中国人民解放军军事科学院防化研究院 2024-09-17 CN claimed
EP-1844189-B1 Method for preparing a sampling swab SMITHS DETECTION INC (CA) 2020-10-28 EP claimed
US-20200094301-A1 Heat-Enhanced Treatment Of Energetic Compounds In Contaminated Soil, Sediment And/Or Water CDM SMITH INC. 2020-03-26 US claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
US-10119953-B1 Metal chalcogenide quantum dots for the detection of nitroaromatic chemicals THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-11-06 US claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
US-9546247-B2 Explosive detection polymer comprising functionalized polyamine polymers and methods of using the same UNIVERSITY OF CONNECTICUT (US) 2017-01-17 US claimed
US-9365441-B2 Product and method for treatment of soil and groundwater contaminated with pollutants that can be anaerobically bioremediated BORDEN ROBERT C (US) 2016-06-14 US claimed
US-20150329390-A1 PRODUCT AND METHOD FOR TREATMENT OF SOIL AND GROUNDWATER CONTAMINATED WITH POLLUTANTS THAT CAN BE ANAEROBICALLY BIOREMEDIATED BORDEN ROBERT C (US) 2015-11-19 US claimed
US-20150056711-A1 Explosive Detection Polymer Comprising Functionalized Polyamine Polymers and Methods of Using the Same UNIVERSITY OF CONNECTICUT (US) 2015-02-26 US claimed
US-20090240033-A1 AFFINITY MATRIX LIBRARY AND ITS USE LI RONGXIU 2009-09-24 US claimed
EP-1844189-A2 SAMPLING SWAB Smiths Detection Inc. (CA) 2007-10-17 EP claimed
WO-2007066240-A2 SAMPLING SWAB SMITHS DETECTION INC. (US) 2007-06-14 WO claimed
US-20060192098-A1 Sampling swab SMITHS DETECTION INC. 2006-08-31 US claimed
US-20050288616-A1 Sampling swab SMITHS DETECTION, INC. 2005-12-29 US claimed
US-6719902-B1 TREATING AN ENVIRONMENTAL SITE WITH AN EFFECTIVE AMOUNT OF A COMPOSITION COMPRISING ONE OR MORE HYDROGENOTROPHIC BACTERIA AND ZERO-VALENT IRON THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-04-13 US claimed
US-6477907-B1 Detection of explosives in soils SANDIA CORPORATION 2002-11-12 US claimed
WO-1998049106-A1 FE(O)-BASED BIOREMEDIATION OF AQUIFERS CONTAMINATED WITH MIXED WASTES THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-11-05 WO claimed
US-4451681-A Methods of preparing pentanitrotoluene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-05-29 US claimed
US-4248798-A New method for preparing pentanitroaniline and triaminotrinitrobenzenes from trinitrotoluene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1981-02-03 US claimed