SCHEMBL28053633

SCHEMBL28053633

CCCCNC(=O)/C=C\c1cn(CC=Cc2ccccc2)nn1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.74
HDAC1 Q13547 13/20 0.74
HDAC2 Q92769 13/20 0.74
HDAC4 P56524 12/20 0.74
HDAC7 Q8WUI4 12/20 0.74
HDAC10 Q969S8 12/20 0.74
HDAC11 Q96DB2 12/20 0.74
HDAC8 Q9BY41 12/20 0.74
HDAC6 Q9UBN7 12/20 0.74
HDAC9 Q9UKV0 12/20 0.74
HDAC5 Q9UQL6 12/20 0.74
EGFR P00533 1/20 0.56
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL28053631 1.00 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Butylcinnamamide SCHEMBL3688039 0.78 EGFR (0.88) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Butylcinnamamide SCHEMBL6231267 0.78 EGFR (0.88) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Pentylcinnamamide SCHEMBL7913716 0.74 EGFR (0.97) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Pentylcinnamamide SCHEMBL7913718 0.74 EGFR (0.97) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Dodecylcinnamamide SCHEMBL16596238 0.73 EGFR (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Octylcinnamamide SCHEMBL10706126 0.73 EGFR (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Dodecylcinnamamide SCHEMBL28975087 0.73 EGFR (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28975079 0.73 EGFR (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7
N-Hexadecylcinnamamide SCHEMBL2727701 0.73 EGFR (1.00) HDAC3HDAC1HDAC2HDAC4HDAC7

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