SCHEMBL2641834

SCHEMBL2641834

O=C(O)NCc1ccc(C=Cc2ccc([N+](=O)[O-])nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATG4B Q9Y4P1 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL2641866 0.84 ALDH1A1 (0.42) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641874 0.84 ALDH1A1 (0.42) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641786 0.80 MAPT (0.43) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641779 0.80 MAPT (0.43) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641936 0.79 SNCA (0.43) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641942 0.79 SNCA (0.43) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641924 0.78 HDAC3 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2641913 0.78 HDAC3 (0.43) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL2641827 0.78 HDAC1 (0.44) MAPTALDH1A1LMNAHDAC3HDAC1
SCHEMBL2641902 0.78 L3MBTL1 (0.52) MAPTKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO claimed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed