SCHEMBL28053558

SCHEMBL28053558

O=C(/C=C\c1cn(C2CCCCC2)nn1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 6/20 0.56
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMB5 P28074 1/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL28638168 0.81 HDAC11 (0.49) HDAC11PSMB8PSMB9PSMB5ALDH1A1
SCHEMBL28636096 0.81 HDAC11 (0.49) HDAC11PSMB8PSMB9PSMB5ALDH1A1
SCHEMBL28261805 0.81 HDAC11 (0.49) HDAC11PSMB8PSMB9PSMB5ALDH1A1
SCHEMBL28053627 0.79 MAPT (0.43) HDAC11PSMB8PSMB9PSMB5HDAC3
SCHEMBL28261797 0.77 HDAC11 (0.45) HDAC11PSMB8PSMB9PSMB5ALDH1A1
SCHEMBL28623304 0.77 HDAC11 (0.45) HDAC11PSMB8PSMB9PSMB5ALDH1A1
SCHEMBL28645122 0.77 HDAC11 (0.45) HDAC11PSMB8PSMB9PSMB5ALDH1A1
SCHEMBL28053637 0.77 PSMB8 (0.46) HDAC11PSMB8PSMB9PSMB5HDAC3
SCHEMBL28826249 0.76 MAPT (0.44) HDAC11HDAC3HDAC4HDAC1HDAC7
SCHEMBL28053635 0.75 MMP1 (0.46) HDAC11MMP1MMP2MMP9ALDH1A1

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