SCHEMBL2480650

SCHEMBL2480650

CCc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
GPR35 Q9HC97 2/20 0.55
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.42
S100A4 P26447 1/20 0.41
FBP1 P09467 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
SCHEMBL10944668 0.87 TDP1 (0.54) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL9641198 0.87 TSHR (0.55) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL3037173 0.84 TSHR (0.55) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL10977025 0.84 TSHR (0.51) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL9723891 0.82 TSHR (0.53) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL1167739 0.82 TSHR (0.53) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL5604297 0.82 TSHR (0.69) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL3933610 0.82 GPR35 (0.58) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL10693919 0.82 TSHR (0.49) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL1828132 0.82 TSHR (0.47) TSHRGPR35TDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105647598-A Gasoline product containing combustion improver, and preparation method thereof 周向进 2016-06-08 CN claimed
US-10801054-B2 Biomimetic virus-based colorimetric sensors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-13 US disclosed
US-10590459-B2 Biomimetic virus-based colorimetric sensors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-17 US disclosed
US-20160312262-A1 BIOMIMETIC VIRUS-BASED COLORIMETRIC SENSORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-10-27 US disclosed
CN-105647598-A Gasoline product containing combustion improver, and preparation method thereof 周向进 2016-06-08 CN disclosed
WO-2015095882-A1 BIOMIMETIC VIRUS-BASED COLORIMETRIC SENSORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-25 WO disclosed
US-8957013-B2 Receptors useful for gas phase chemical sensing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-17 US disclosed
US-20140220704-A1 ARTICLES COMPRISING TEMPLATED CROSSLINKED POLYMER FILMS FOR ELECTRONIC DETECTION OF NITROAROMATIC EXPLOSIVES THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 US disclosed
WO-2013066456-A2 ARTICLES COMPRISING TEMPLATED CROSSLINKED POLYMER FILMS FOR ELECTRONIC DETECTION OF NITROAROMATIC EXPLOSIVES THE JOHNS HOPKINS UNIVERSITY (US) 2013-05-10 WO disclosed
US-20120184044-A1 MOLECULARLY-IMPRINTED POLYMERIC MATERIALS FOR VISUAL DETECTION OF EXPLOSIVES RAPTOR DETECTION, INC. (US) 2012-07-19 US disclosed
WO-2009009186-A2 RECEPTORS USEFUL FOR GAS PHASE CHEMICAL SENSING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-15 WO disclosed
CN-1309439-C Mild distilling and separating method for mixture BAYER AG (DE) 2007-04-11 CN disclosed
US-20070059211-A1 TNT sensor containing molecularly imprinted sol gel-derived films THE COLLEGE OF WOOSTER (US) 2007-03-15 US disclosed
CN-1190410-C Method for preparing 1-nitro-ethyl-nitrobenzene compound RHONE POULENC AGROCH IMIE (FR) 2005-02-23 CN disclosed
CN-1190410-C Method for preparing 1-nitro-ethyl-nitrobenzene compound RHONE POULENC AGROCH IMIE (FR) 2005-02-23 CN disclosed
CN-1457913-A Mild distilling and separating method for mixture BAYER AG (DE) 2003-11-26 CN disclosed
CN-1316415-A Method for preparing 1-nitro-ethyl-nitrobenzene compound RHONE POULENC AGROCH IMIE (FR) 2001-10-10 CN disclosed
CN-1316415-A Method for preparing 1-nitro-ethyl-nitrobenzene compound RHONE POULENC AGROCH IMIE (FR) 2001-10-10 CN disclosed
US-3996052-A Phototropic compounds as acid catalyst in photopolymerizing process AMERICAN CAN COMPANY (US) 1976-12-07 US disclosed
US-3949143-A Epoxy resin coatings cured with phototropic aromatic nitro compounds AMERICAN CAN COMPANY (US) 1976-04-06 US disclosed