SCHEMBL8257577

SCHEMBL8257577

COCCn1cc(CNCc2ccccc2)c2cc(/C=C/C(=O)NO)ccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.56
▸ HDAC8 Q9BY41 15/20 0.55
▸ HDAC3 O15379 14/20 0.55
▸ HDAC2 Q92769 14/20 0.55
▸ HDAC4 P56524 5/20 0.50
▸ HDAC7 Q8WUI4 5/20 0.50
▸ HDAC6 Q9UBN7 5/20 0.50
▸ HDAC9 Q9UKV0 5/20 0.50
▸ HDAC5 Q9UQL6 5/20 0.50
▸ HDAC10 Q969S8 4/20 0.50
▸ HDAC11 Q96DB2 4/20 0.50

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
SCHEMBL8255178 0.92 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL8256889 0.79 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL8254835 0.78 HDAC1 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL8256234 0.78 HDAC1 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL8256750 0.77 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL8248130 0.73 HDAC1 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL3368463 0.72 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL3368459 0.72 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL8256893 0.71 HDAC1 (0.48) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL3366915 0.69 HDAC1 (1.00) HDAC1HDAC8

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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