SCHEMBL938650

SCHEMBL938650

Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.55
CYP3A4 P08684 4/20 0.53
ALDH1A1 P00352 3/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 4/20 0.47
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
GPR35 Q9HC97 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL30842645 0.85 ALDH1A1 (0.58) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL14269307 0.85 ALDH1A1 (0.58) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL11599278 0.84 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL2056614 0.83 TSHR (0.57) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL2056645 0.82 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL1265339 0.82 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL30711152 0.82 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL28668057 0.81 TSHR (0.67) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL58062 0.81 TSHR (0.67) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL28879452 0.80 TSHR (0.60) 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 86 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
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-1704408-B1 USE OF SILOXANE-BASED POLYMERS OR COMPOSITES IN CHEMICAL SENSORS FOR DETECTING NITRATE COMPOUNDS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-10-20 EP claimed
EP-1844329-A2 USE OF MOLECULAR CLIPS AS SENSITIVE MATERIALS IN CHEMICAL SENSORS FOR DETECTING OR ASSAYING ORGANIC COMPOUNDS IN VAPOUR STATE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-10-17 EP claimed
US-20070178600-A1 Use of siloxane-based polymers or composites in chemical sensor for detecting nitrate compounds COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-08-02 US claimed
US-20070101461-A1 Method for Improving Phytoremediation Treatment of a Contaminated Medium VAN DER LELIE DANIEL 2007-05-03 US claimed
WO-2006082343-A2 USE OF MOLECULAR CLIPS AS SENSITIVE MATERIALS IN CHEMICAL SENSORS FOR DETECTING OR ASSAYING ORGANIC COMPOUNDS IN VAPOUR STATE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-08-10 WO 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-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
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