SCHEMBL8256234

SCHEMBL8256234

O=C(/C=C/c1ccc2c(c1)c(CNCCN1CCCC1)cn2CCc1ccccc1)NO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.56
▸ HDAC8 Q9BY41 16/20 0.56
▸ HDAC2 Q92769 11/20 0.56
▸ HDAC6 Q9UBN7 11/20 0.56
▸ HDAC11 Q96DB2 10/20 0.56
▸ HDAC3 O15379 10/20 0.56
▸ HDAC4 P56524 10/20 0.56
▸ HDAC9 Q9UKV0 10/20 0.56
▸ HDAC5 Q9UQL6 10/20 0.56
▸ HDAC10 Q969S8 9/20 0.56
▸ APP P05067 1/20 0.51
▸ HDAC7 Q8WUI4 8/20 0.49

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
SCHEMBL8248130 0.89 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL8255178 0.82 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL8256889 0.82 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL8254835 0.81 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL8256750 0.79 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL8257577 0.78 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL27891512 0.72 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL13118363 0.71 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL29562472 0.71 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC11
SCHEMBL3372215 0.71 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC11

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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