SCHEMBL5795706

SCHEMBL5795706

COC(=O)c1ccc(C=C(C)CNc2cnc3c(Br)cccc3c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.80
HDAC4 P56524 1/20 0.80
HDAC1 Q13547 1/20 0.80
HDAC7 Q8WUI4 1/20 0.80
HDAC2 Q92769 1/20 0.80
HDAC10 Q969S8 1/20 0.80
HDAC11 Q96DB2 1/20 0.80
HDAC8 Q9BY41 1/20 0.80
HDAC6 Q9UBN7 1/20 0.80
HDAC9 Q9UKV0 1/20 0.80
HDAC5 Q9UQL6 1/20 0.80
ALDH1A1 P00352 7/20 0.42
HPGD P15428 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 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
SCHEMBL5796204 0.90 HDAC6 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796202 0.90 HDAC6 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796598 0.89 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796605 0.89 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5799753 0.85 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796094 0.83 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5797829 0.79 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5808920 0.79 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796586 0.78 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796419 0.76 RAB9A (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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
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