SCHEMBL304097

SCHEMBL304097

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
TSHR P16473 5/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
GPR35 Q9HC97 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 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
SCHEMBL2581016 0.87 CYP1A2 (0.62) CYP1A2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL2581014 0.87 CYP1A2 (0.57) CYP1A2TSHRGRIN2DGRIN3BGRIN1
Phenol SCHEMBL27604479 0.85 TSHR (0.45) CYP1A2TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8415102 0.84 TSHR (0.51) CYP1A2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL8415105 0.84 TSHR (0.50) CYP1A2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL9121102 0.83 CYP1A2 (0.57) CYP1A2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL7527476 0.83 CYP1A2 (0.52) CYP1A2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL2581020 0.82 GRIN2D (0.50) CYP1A2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL7788794 0.82 GPR35 (0.57) CYP1A2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL20975092 0.82 CYP1A2 (0.72) CYP1A2TSHRGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571816-B1 METHOD AND DEVICE FOR REMOVING NITROAROMATICS FROM WASTE WATER BASF SE (DE) 2014-04-30 EP claimed
CN-102939265-A Method and device for removing nitroaromatics from waste water BASF SE 2013-02-20 CN claimed
US-8091479-B1 Fluid blade disablement tool SANDIA CORPORATION (US) 2012-01-10 US claimed
US-20110284391-A1 PROCESS AND APPARATUS FOR SEPARATING NITROAROMATICS FROM WASTEWATER Verein fuer Kernve. und Analyt. Rosse. e.V. (VKTA) (DE) 2011-11-24 US claimed
US-8037828-B1 Projectile-generating explosive access tool SANDIA CORPORATION (US) 2011-10-18 US claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
EP-1132347-B2 Integrated effluent treatment process for nitroaromatic manufacture NORAM INT LTD (IE) 2009-03-18 EP claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
EP-1132347-B1 Integrated effluent treatment process for nitroaromatic manufacture NORAM INT LTD (IE) 2005-09-28 EP claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-6610157-B1 Prilled energetic particles, and process for making the same ALLIANT TECHSYSTEMS INC. 2003-08-26 US claimed
EP-0493638-A1 Novel composite explosives and method for making them UNION ESPANOLA DE EXPLOSIVOS S.A. (ES) 1992-07-08 EP claimed
CN-1007839-B Compositions of liquid ion exchangers for use as acetylcholinergic ion-selective microelectrodes UNIV ZHEJIANG (CN) 1990-05-02 CN claimed
CN-1030480-A The preparation technology of liquid ion-exchanger composite used as acetylcholine ion-selective microelectrode UNIV ZHEJIANG (CN) 1989-01-18 CN claimed
US-3994756-A Castable composite explosive compositions containing a mixture of trinitrobenzene and trinitroxylene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-11-30 US claimed
CN-116426322-B Gasoline cleaning synergistic agent and preparation method and application thereof 金浦新材料股份有限公司 2025-02-07 CN disclosed
US-3994756-A Castable composite explosive compositions containing a mixture of trinitrobenzene and trinitroxylene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-11-30 US disclosed