SCHEMBL8247831

SCHEMBL8247831

CN(C)CCN1CC(CNCCCc2ccccc2)c2cc(/C=C/C(=O)NO)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.53
▸ HDAC8 Q9BY41 7/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC3 O15379 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ LMNA P02545 1/20 0.41

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
SCHEMBL8256893 0.78 HDAC1 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8254835 0.73 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8256872 0.72 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL14582625 0.70 HDAC1 (0.95) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8256871 0.70 TTR (0.41) HDAC1HDAC8LMNA
SCHEMBL15304147 0.69 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8278533 0.68 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8256489 0.68 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8256889 0.67 HDAC1 (0.53) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL19184613 0.67 HDAC1 (0.88) HDAC1HDAC8HDAC6HDAC3HDAC2

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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