SCHEMBL5795578

SCHEMBL5795578

CC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC8 Q9BY41 3/20 0.66
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5799558 0.88 ALDH1A1 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5808920 0.86 ALDH1A1 (0.54) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5808188 0.83 HDAC6 (0.74) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5799613 0.83 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5811205 0.82 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5796258 0.81 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5812089 0.81 HDAC6 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5797816 0.80 HDAC6 (0.69) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5796605 0.79 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL5796598 0.79 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO claimed
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed