SCHEMBL28053627

SCHEMBL28053627

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HDAC11 Q96DB2 4/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 1/20 0.39
PSMB8 P28062 4/20 0.39
PSMB5 P28074 4/20 0.39
PSMB9 P28065 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL28826249 0.97 MAPT (0.44) MAPTHTTHDAC11PKMHPGD
SCHEMBL28053637 0.80 PSMB8 (0.46) HDAC11PSMB8PSMB5PSMB9HDAC3
SCHEMBL28261763 0.79 APP (0.41) HTTHDAC11PSMB8PSMB5PSMB9
SCHEMBL28053634 0.79 PSMB8 (0.50) PKMHPGDL3MBTL1PSMB8PSMB5
SCHEMBL28053558 0.79 HDAC11 (0.56) HTTHDAC11HPGDL3MBTL1PSMB8
SCHEMBL28260474 0.78 APP (0.42) HTTHDAC11PSMB8PSMB5PSMB9
SCHEMBL28260483 0.78 APP (0.42) HTTHDAC11PSMB8PSMB5PSMB9
SCHEMBL28261739 0.78 APP (0.42) HTTHDAC11PSMB8PSMB5PSMB9
SCHEMBL28640947 0.77 PSMB8 (0.41) MAPTHDAC11HPGDPSMB8PSMB5
SCHEMBL28630349 0.77 PSMB8 (0.41) MAPTHDAC11HPGDPSMB8PSMB5

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