SCHEMBL3309564

SCHEMBL3309564

O=C(CI)OCCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 2/20 0.64
HRH3 Q9Y5N1 2/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
S1PR1 P21453 3/20 0.50
S1PR3 Q99500 3/20 0.50
MYC P01106 3/20 0.50
S1PR5 Q9H228 2/20 0.50
S1PR4 O95977 2/20 0.50
MIF P14174 1/20 0.48
SUCNR1 Q9BXA5 1/20 0.48
GSTP1 P09211 1/20 0.48
MAX P61244 1/20 0.47

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
SCHEMBL28926242 0.80 GSTM2 (0.66) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL17788961 0.80 GSTM2 (0.90) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL19387685 0.80 GSTM2 (0.68) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL31576805 0.80 GSTM2 (0.62) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL4552487 0.80 GSTM2 (0.62) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL9937651 0.80 GSTM2 (0.65) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL14617994 0.79 GSTM2 (0.72) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL3016649 0.78 GSTM2 (0.74) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL8429217 0.78 GSTM2 (0.60) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL6049353 0.78 GSTM2 (1.00) GSTM2HRH3MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718353-B2 Proteins, sensors, and methods of characterizing analytes using the same UNIVERSITY OF MARYLAND BALTIMORE COUNTY (US) 2010-05-18 US disclosed
US-20080261255-A1 Proteins, Sensors, and Methods of Characterizing Analytes Using the Same UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2008-10-23 US disclosed
EP-1044374-B1 GLUCOSE BIOSENSOR UNIV DUKE (US) 2008-10-08 EP disclosed
US-6521446-B2 Sensors for the detection of glucose in the blood and fermentation broth DUKE UNIVERSITY 2003-02-18 US disclosed
EP-1044374-A4 BIOSENSOR UNIV DUKE (US) 2002-11-27 EP disclosed
US-20020004217-A1 Biosensor DUKE UNIVERSITY 2002-01-10 US disclosed
US-6277627-B1 BINDING PROTEIN FOR THE DETECTION OF GLUCOSE IN THE BLOOD; FOR USE IN FERMENTATION PROCESS IN FOOD PROCESSING DUKE UNIVERSITY 2001-08-21 US disclosed
EP-1044374-A1 BIOSENSOR DUKE UNIVERSITY (US) 2000-10-18 EP disclosed
WO-1999034212-A1 BIOSENSOR DUKE UNIVERSITY (US) 1999-07-08 WO disclosed