SCHEMBL8256889

SCHEMBL8256889

CN(C)CCn1cc(CNCCc2ccccc2)c2cc(/C=C/C(=O)NO)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.53
▸ HDAC8 Q9BY41 11/20 0.51
▸ HDAC2 Q92769 9/20 0.51
▸ HDAC6 Q9UBN7 9/20 0.51
▸ HDAC3 O15379 7/20 0.51
▸ HDAC4 P56524 7/20 0.51
▸ HDAC9 Q9UKV0 7/20 0.51
▸ HDAC5 Q9UQL6 7/20 0.51
▸ HDAC11 Q96DB2 7/20 0.51
▸ HDAC7 Q8WUI4 6/20 0.51
▸ HDAC10 Q969S8 6/20 0.51
▸ APP P05067 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
SCHEMBL8254835 0.95 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8255178 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8256234 0.82 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8257577 0.79 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8256750 0.79 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8248130 0.75 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4786996 0.71 HTR6 (0.62) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4786990 0.71 HTR6 (0.62) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL13118171 0.70 HDAC1 (0.84) HDAC1HDAC8
SCHEMBL3368501 0.69 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3

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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