SCHEMBL5797322

SCHEMBL5797322

CC(=Cc1ccc(C(=O)O)cc1)CNc1cnc2ccc(CN(C)C)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
TRPV1 Q8NER1 7/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5797318 1.00 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5799111 0.90 HDAC6 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5799113 0.90 HDAC6 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5796842 0.90 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5808717 0.86 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5808718 0.86 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5797644 0.85 HDAC6 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5799283 0.84 HDAC3 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5799282 0.84 HDAC3 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5797374 0.83 HDAC6 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7

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