SCHEMBL4552487

SCHEMBL4552487

O=C(CI)NCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 3/20 0.62
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
MYC P01106 4/20 0.53
MAX P61244 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
MIF P14174 1/20 0.52
IDO1 P14902 3/20 0.50
GSTP1 P09211 2/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL19387685 0.83 GSTM2 (0.68) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL1445675 0.81 GSTM2 (0.54) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL8427049 0.81 GSTM2 (0.81) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL14182554 0.81 GSTM2 (0.71) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL17525024 0.80 GSTM2 (0.67) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL19222011 0.80 GSTM2 (0.67) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL15279711 0.80 GSTM2 (0.57) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL3309564 0.80 GSTM2 (0.64) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL3016649 0.80 GSTM2 (0.74) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL12818156 0.79 GSTM2 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377610-A2 RATIOMETRIC BIOSENSORS AND NON-GEOMETRICALLY MODULATED FRET Duke University (US) 2018-09-26 EP disclosed
EP-3377904-A2 UREA BIOSENSORS AND USES THEREOF Duke University (US) 2018-09-26 EP disclosed
WO-2009124135-A2 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-08 WO disclosed