SCHEMBL28069116

SCHEMBL28069116

CCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 2/20 0.68
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
USP2 O75604 1/20 0.64
HTT P42858 1/20 0.64
RECQL P46063 1/20 0.64
HRH3 Q9Y5N1 2/20 0.60
MIF P14174 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
IDO1 P14902 4/20 0.58
MYC P01106 4/20 0.57
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PSMD14 O00487 1/20 0.51
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAX P61244 1/20 0.51
GSTP1 P09211 1/20 0.49

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
SCHEMBL13252252 0.92 GSTM2 (0.73) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL19400408 0.89 GSTM2 (0.77) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL4666212 0.89 GSTM2 (0.77) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL28275153 0.89 GSTM2 (0.77) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL17781757 0.88 MEN1 (0.67) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL19222011 0.87 GSTM2 (0.67) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL12818156 0.87 GSTM2 (0.70) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL8429536 0.86 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL21239902 0.86 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL8427049 0.86 GSTM2 (0.81) GSTM2MEN1KMT2AUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622540-A CO probe and preparation method and application thereof UNIV SOUTH CHINA TECH 2016-06-01 CN disclosed