SCHEMBL938653

SCHEMBL938653

Cc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
CYP3A4 P08684 5/20 0.57
ALDH1A1 P00352 8/20 0.56
TDP1 Q9NUW8 6/20 0.56
RECQL P46063 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4427648 0.86 ALDH1A1 (0.71) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL27832802 0.86 MEN1 (0.53) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL377032 0.85 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2056645 0.85 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2056619 0.85 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL823521 0.85 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL23035409 0.82 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL5704996 0.82 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11882257 0.82 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL20571586 0.82 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193475-A1 ZERO-VALENT METAL AND BLACK CARBON FRAMEWORK AND METHOD OF USING SAME MUNIREM ENVIRONMENTAL, LLC 2022-06-23 US claimed
CN-109988103-A A method of synthesis fluazinam 江苏扬农化工股份有限公司 2019-07-09 CN claimed
EP-2643496-B1 USE OF THIN FILMS OF MESOPOROUS SILICA AS SENSITIVE COMPONENTS IN GRAVIMETRIC SENSORS FOR DETERMINING THE CONCENTRATION OF NITRATE COMPOUNDS IN GASES COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-04-12 EP claimed
US-8722957-B2 Sulfur-based bulk reductants and methods of using same UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-05-13 US claimed
EP-2643496-A1 THIN FILMS OF MESOPOROUS SILICAS AS SENSITIVE MATERIALS IN GRAVIMETRIC SENSORS FOR DETECTING OR ASSAYING VAPOURS OF NITROGEN-CONTAINING COMPOUNDS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2013-10-02 EP claimed
WO-2012069569-A1 THIN FILMS OF MESOPOROUS SILICAS AS SENSITIVE MATERIALS IN GRAVIMETRIC SENSORS FOR DETECTING OR ASSAYING VAPOURS OF NITROGEN-CONTAINING COMPOUNDS Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-05-31 WO claimed
US-8178354-B2 Chemical sensors comprising fluorescent conjugated polymers as sensitive materials, and their use in the detection or assaying of nitro compounds COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2012-05-15 US claimed
US-7968343-B2 Chemical sensors comprising aniline polysiloxanes as sensitive materials and use thereof for detecting of assaying nitro compounds COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-06-28 US claimed
US-7901948-B2 Using macrocycle compounds chosen from metalled and non-metalled, substituted and unsubstituted porphyrins, phthalocyanins, naphthalocyanins, sapphyrins, corroles, corrolazines and macrocyclic polyamines of the polyazamacrocycle or dioxopolyazamacrocycle type; civil security, explosives detection COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-03-08 US claimed
US-20100310316-A1 SULFUR-BASED BULK REDUCTANTS AND METHODS OF USING SAME UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2010-12-09 US claimed
EP-1676282-A2 USE OF CONDUCTIVE OR SEMI-CONDUCTIVE POLYMERS IN CHEMICAL SENSORS FOR DETECTING NITRO COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-07-05 EP claimed
US-20050150003-A1 Method for improving phytoremediation treatment of a contaminated medium VAN DER LELIE DANIEL (BE) 2005-07-07 US claimed
WO-2005041212-A2 USE OF CONDUCTIVE OR SEMI-CONDUCTIVE POLYMERS IN CHEMICAL SENSORS FOR DETECTING NITRO COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-05-06 WO 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-20030126632-A1 Method for improving phytoremediation treatment of a contaminated medium VAN DER LELIE DANIEL (BE) 2003-07-03 US claimed
EP-1260282-A2 Method for improving phytoremediation treatment of a contaminated medium "VLAAMSE INSTELLING VOOR TECHNOLOGISCH ONDERZOEK", afgekort "V.I.T.O." (BE) 2002-11-27 EP claimed
CN-1051205-C Composition for treatment of bacterial wilt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-12 CN 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
CN-1090131-A Be used to prevent and treat the composition of bacterialo wilt disease TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-08-03 CN 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