SCHEMBL3207925

SCHEMBL3207925

O=C1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.55
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 3/20 0.51
HIF1A Q16665 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2C9 P11712 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
STAT6 P42226 1/20 0.51
PHLPP2 Q6ZVD8 1/20 0.51
S100A4 P26447 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
PTPRC P08575 2/20 0.47
HPRT1 P00492 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
GPR35 Q9HC97 4/20 0.43

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
SCHEMBL12520177 0.89 HKDC1 (0.52) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL74588 0.89 HKDC1 (0.65) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL29435119 0.89 HKDC1 (0.65) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL6924564 0.86 PTPRC (0.58) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL29413355 0.86 S100A4 (0.62) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL55362 0.86 S100A4 (0.62) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL8569104 0.86 HKDC1 (0.50) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL11518981 0.85 S100A4 (0.61) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL159819 0.83 S100A4 (0.60) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10
SCHEMBL7697682 0.83 S100A4 (0.68) HKDC1ALDH1A1CYP1A2HIF1AHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029076-B2 Tissue preservation and fixation method George Mason Research Foundation, Inc. (US) 2015-05-12 US disclosed
US-20130345075-A1 Tissue Preservation and Fixation Method GEORGE MASON UNIVERSITY 2013-12-26 US disclosed
US-8460859-B2 Tissue preservation and fixation method GEORGE MASON INTELLECTUAL PROPERTIES, INC. (US) 2013-06-11 US disclosed
US-20100068690-A1 TISSUE PRESERVATION AND FIXATION METHOD GEORGE MASON INTELLECTUAL PROPERTIES, INC. (US) 2010-03-18 US disclosed
EP-2104420-A2 TISSUE PRESERVATION AND FIXATION METHOD George Mason Intellectual Properties, Inc. (US) 2009-09-30 EP disclosed
WO-2008073187-A2 TISSUE PRESERVATION AND FIXATION METHOD GEORGE MASON INTELLECTUAL PROPERTIES, INC. (US) 2008-06-19 WO disclosed
US-4013462-A Migration imaging system XEROX CORPORATION (US) 1977-03-22 US disclosed