SCHEMBL8325113

SCHEMBL8325113

O=C(/C=C/c1ccc(Cc2nc3cccc(O)c3[nH]2)cc1)NO

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.70
▸ HDAC8 Q9BY41 10/20 0.70
▸ HDAC6 Q9UBN7 10/20 0.70
▸ HDAC2 Q92769 8/20 0.70
▸ HDAC3 O15379 6/20 0.70
▸ HDAC4 P56524 5/20 0.70
▸ HDAC7 Q8WUI4 5/20 0.70
▸ HDAC10 Q969S8 5/20 0.70
▸ HDAC11 Q96DB2 5/20 0.70
▸ HDAC9 Q9UKV0 5/20 0.70
▸ HDAC5 Q9UQL6 5/20 0.70

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
SCHEMBL8321922 0.84 HDAC1 (0.64) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL4631682 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL4631676 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8319214 0.82 HDAC1 (0.70) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8324098 0.81 HDAC1 (0.62) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8319323 0.77 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL9540475 0.76 GAA (0.58) —
SCHEMBL8320552 0.75 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8321908 0.75 HDAC1 (0.70) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8325016 0.75 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC2HDAC3

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
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