SCHEMBL19222011

SCHEMBL19222011

CNCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.67
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
USP2 O75604 1/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
HRH3 Q9Y5N1 2/20 0.59
MIF P14174 1/20 0.58
IDO1 P14902 4/20 0.56
MYC P01106 4/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PSMD14 O00487 1/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAX P61244 1/20 0.50

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
SCHEMBL28069116 0.87 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL12818156 0.86 GSTM2 (0.70) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL12387644 0.85 GSTM2 (0.73) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL13252252 0.85 GSTM2 (0.73) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL8427071 0.84 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL21239902 0.84 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL8429536 0.84 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL19387685 0.84 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL8427049 0.84 GSTM2 (0.81) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL17781757 0.84 MEN1 (0.67) 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
US-9724434-B2 Lysine oligomer derivative and cartilage tissue marker made thereof NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2017-08-08 US disclosed