SCHEMBL8248135

SCHEMBL8248135

CC1CCCN1Cc1cn(Cc2ccccc2)c2ccc(/C=C/C(=O)NO)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.52
▸ HDAC6 Q9UBN7 12/20 0.52
▸ HDAC8 Q9BY41 9/20 0.52
▸ HDAC2 Q92769 8/20 0.52
▸ HDAC3 O15379 5/20 0.52
▸ HDAC4 P56524 5/20 0.52
▸ HDAC11 Q96DB2 5/20 0.52
▸ HDAC7 Q8WUI4 4/20 0.52
▸ HDAC10 Q969S8 4/20 0.52
▸ HDAC9 Q9UKV0 4/20 0.52
▸ HDAC5 Q9UQL6 4/20 0.52
▸ KCNH2 Q12809 3/20 0.46
▸ APP P05067 1/20 0.43

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 0.76 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL8256750 0.75 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL8256489 0.74 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1779270 0.72 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1779275 0.72 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1779274 0.72 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1779648 0.72 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL20023 0.71 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2733125 0.71 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL20432791 0.70 HDAC1 (0.55) HDAC1HDAC6HDAC8HDAC2HDAC3

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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