SCHEMBL5806973

SCHEMBL5806973

CC(=Cc1ccc(C(=O)NO)cc1)CNc1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.64
HDAC1 Q13547 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
NCOR2 Q9Y618 1/20 0.64
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KDR P35968 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5799662 0.89 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5798915 0.87 SLC40A1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5807501 0.84 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5797898 0.84 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5798829 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5812089 0.79 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5799057 0.78 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL31424931 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL29412220 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL19631273 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4

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