SCHEMBL6510158

SCHEMBL6510158

C=C(C)C(=O)OCCN(C)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
GSTP1 P09211 10/20 0.43
GSTM2 P28161 10/20 0.43
KCNH2 Q12809 1/20 0.41
MYC P01106 1/20 0.39
CNR2 P34972 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
S100A4 P26447 1/20 0.38
RECQL P46063 1/20 0.38
SLC5A2 P31639 1/20 0.38
G6PD P11413 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL26025 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL24506694 0.82 MAPT (0.41) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL27115860 0.77 GSTM2 (0.57) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL26054240 0.77 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL17914175 0.75 MEN1 (0.63) MEN1KMT2AALDH1A1HTTGSTP1
SCHEMBL31135832 0.75 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2CNR2
SCHEMBL4942785 0.75 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2CNR2
SCHEMBL21597965 0.74 MYC (0.49) MEN1KMT2AMAPTHTTGAA
SCHEMBL3492762 0.74 MEN1 (0.55) MEN1KMT2AALDH1A1HTTGSTP1
SCHEMBL19704948 0.72 GSTP1 (0.43) MEN1KMT2AGSTP1GSTM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240142377-A1 DYES UNDERGOING CHANGES IN COLOR AND FLUORESCENCE UPON BINDING OF ORGANIC OXO COMPOUNDS BUNDESREPUBLIK DEUTSCHLAND, VERTRETEN DURCH DEN BUNDESMINISTER FÜR WIRTSCHAFT UND ENERGIE, DIESER VE (DE) 2024-05-02 US disclosed
US-20240066500-A1 MOLECULARLY IMPRINTED FLUORESCENT POLYMERS FOR DIRECT DETECTION OF GLYPHOSATE, ITS DEGRADATION PRODUCTS, AND METABOLITES Bundesrepblik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Energie, dieser ver (DE) 2024-02-29 US disclosed
US-20240066500-A1 MOLECULARLY IMPRINTED FLUORESCENT POLYMERS FOR DIRECT DETECTION OF GLYPHOSATE, ITS DEGRADATION PRODUCTS, AND METABOLITES Bundesrepblik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Energie, dieser ver (DE) 2024-02-29 US disclosed
WO-2022122399-A1 MOLECULARLY IMPRINTED FLUORESCENT POLYMERS FOR DIRECT DETECTION OF GLYPHOSATE, ITS DEGRADATION PRODUCTS, AND METABOLITES BUNDESREPUBLIK DEUTSCHLAND, VERTRETEN DURCH DEN BUNDESMINISTER FÜR WIRTSCHAFT UND ENERGIE, DIESER VERTRETEN DURCH DEN PRÄSIDENTEN DER BUNDESANSTALT FÜR MATERIALFORSCHUNG UND -PRÜFUNG, (BAM) (DE) 2022-06-16 WO disclosed
US-6974618-B2 Multicolored polymer nanocomposites for optical memory storage and security data encryption Kumacheva, Eugenia (CA) 2005-12-13 US disclosed
US-20040165455-A1 Multicolored polymer nanocomposites for optical memory storage and security data encryption UNIVERSITY OF TORONTO, THE (CA) 2004-08-26 US disclosed
WO-2004068475-A1 MULTICOLORED POLYMER NANOCOMPOSITES FOR OPTICAL MEMORY STORAGE AND SECURITY DATA ENCRYPTION THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2004-08-12 WO disclosed