SCHEMBL28053634

SCHEMBL28053634

CCCCNC(=O)/C=C(/C)c1cn(C2CCCCC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.50
PSMB5 P28074 8/20 0.50
PSMB9 P28065 4/20 0.50
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
LGALS3 P17931 2/20 0.41
LGALS1 P09382 1/20 0.41
LGALS9 O00182 1/20 0.41
LGALS8 O00214 1/20 0.41
LGALS7; LGALS7B P47929 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 1/20 0.37
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL28053627 0.79 MAPT (0.43) PSMB8PSMB5PSMB9HPGDPKM
SCHEMBL28826249 0.76 MAPT (0.44) HPGDPKML3MBTL1HDAC3HDAC1
SCHEMBL24785692 0.68 PSMB8 (0.51) PSMB8PSMB5PSMB9SMYD3HDAC3
SCHEMBL18850877 0.67 PSMB8 (0.54) PSMB8PSMB5PSMB9SMYD3HDAC3
SCHEMBL18850919 0.67 PSMB8 (0.54) PSMB8PSMB5PSMB9SMYD3HDAC3
SCHEMBL28053628 0.65 PKM (0.44) HPGDPKML3MBTL1NAAAGAA
SCHEMBL19701612 0.65 SMYD3 (0.54) PSMB8PSMB5PSMB9SMYD3LGALS3
SCHEMBL28261739 0.65 APP (0.42) PSMB8PSMB5PSMB9NAAA
SCHEMBL28260474 0.65 APP (0.42) PSMB8PSMB5PSMB9NAAA
SCHEMBL28053555 0.65 PKM (0.43) HPGDPKML3MBTL1NAAAGAA

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
CN-105272928-A Alkenyl amide triazole compound and synthetic method thereof UNIV SHAANXI NORMAL 2016-01-27 CN disclosed