SCHEMBL14617994

SCHEMBL14617994

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 2/20 0.72
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
HRH3 Q9Y5N1 2/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
MYC P01106 6/20 0.55
MAX P61244 2/20 0.55
IDO1 P14902 2/20 0.54
MIF P14174 1/20 0.54
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GSTP1 P09211 1/20 0.50
SUCNR1 Q9BXA5 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
SCHEMBL15515612 0.95 GSTM2 (0.76) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL459120 0.95 GSTM2 (0.76) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL31320442 0.95 GSTM2 (0.76) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL15516469 0.95 GSTM2 (0.76) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL285019 0.95 GSTM2 (0.76) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL592618 0.95 GSTM2 (0.76) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL17525024 0.92 GSTM2 (0.67) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL31580439 0.88 GSTM2 (0.59) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL3016649 0.86 GSTM2 (0.74) GSTM2MEN1KMT2AHRH3USP2
SCHEMBL17788961 0.86 GSTM2 (0.90) GSTM2MEN1KMT2AHRH3USP2

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
US-20150285812-A1 Fluorescence-Labelled Fatty Acids and Uses Thereof SANOFI SA (FR) 2015-10-08 US disclosed
WO-2014037394-A1 FLUORESCENCE-LABELLED FATTY ACIDS AND USES THEREOF SANOFI (FR) 2014-03-13 WO disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed