SCHEMBL4553099

SCHEMBL4553099

CC(C)(CNc1ccc([N+](=O)[O-])c2nocc12)NC(=O)CI

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 4/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
MYC P01106 2/20 0.34
MAX P61244 1/20 0.34
GSTP1 P09211 3/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MIF P14174 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1445675 0.84 GSTM2 (0.54) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL4295407 0.66 MEN1 (0.38) GSTM2MEN1KMT2AHTTGSTP1
SCHEMBL4552487 0.65 GSTM2 (0.62) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL17208468 0.63 GSTM2 (0.53) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL21783942 0.61 GSTM2 (0.56) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL15279711 0.60 GSTM2 (0.57) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL3506039 0.60 MEN1 (0.64) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL13589830 0.60 GSTM2 (0.62) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL30520963 0.60 MEN1 (0.57) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL19387685 0.59 GSTM2 (0.68) 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
WO-2009124135-A2 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-08 WO claimed