SCHEMBL8256489

SCHEMBL8256489

CC1CCCN1CC1CN(Cc2ccccc2)c2ccc(/C=C/C(=O)NO)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.47
▸ HDAC4 P56524 8/20 0.47
▸ HDAC6 Q9UBN7 8/20 0.47
▸ KCNH2 Q12809 4/20 0.45
▸ HDAC8 Q9BY41 8/20 0.44
▸ HDAC3 O15379 6/20 0.44
▸ HDAC7 Q8WUI4 6/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ HDAC10 Q969S8 6/20 0.44
▸ HDAC11 Q96DB2 6/20 0.44
▸ HDAC9 Q9UKV0 6/20 0.44
▸ HDAC5 Q9UQL6 6/20 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
SCHEMBL8248135 0.74 HDAC1 (0.52) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL17358766 0.71 HDAC1 (0.64) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL1779270 0.71 HDAC1 (0.58) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL1779648 0.71 HDAC1 (0.58) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL1779274 0.71 HDAC1 (0.58) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL1779275 0.71 HDAC1 (0.58) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL8256893 0.70 HDAC1 (0.48) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL2733125 0.70 HDAC1 (0.64) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL20023 0.70 HDAC1 (0.64) HDAC1HDAC4HDAC6KCNH2HDAC8
SCHEMBL20432791 0.69 HDAC1 (0.55) HDAC1HDAC4HDAC6KCNH2HDAC8

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-2006101456-A1 BICYCLIC HETEROCYCLES HYDROXAMATE COMPOUNDS USEFUL AS HISTONE DEACETYLASE (HDAC) INHIBITORS S*BIO PTE LTD (SG) 2006-09-28 — — WO disclosed
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