SCHEMBL5797898

SCHEMBL5797898

CC(=Cc1ccc(C(=O)NO)cc1)CNc1cccc2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.64
HDAC1 Q13547 5/20 0.64
HDAC3 O15379 4/20 0.64
HDAC7 Q8WUI4 4/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC8 Q9BY41 4/20 0.64
HDAC9 Q9UKV0 4/20 0.64
HDAC5 Q9UQL6 4/20 0.64
HDAC4 P56524 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
NCOR2 Q9Y618 2/20 0.64
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PABPC1 P11940 2/20 0.49
EIF4H Q15056 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
CLK1 P49759 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
SCHEMBL5799686 0.89 MEN1 (0.50) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5799162 0.87 MEN1 (0.48) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5806973 0.84 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5807501 0.84 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5798829 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5797413 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL19617676 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5812089 0.78 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL19617464 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL5812050 0.75 MEN1 (0.49) HDAC6HDAC1HDAC3HDAC7HDAC2

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