SCHEMBL8324098

SCHEMBL8324098

O=C(/C=C/c1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)cc1)NO

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.62
▸ HDAC8 Q9BY41 7/20 0.62
▸ HDAC2 Q92769 7/20 0.62
▸ HDAC6 Q9UBN7 6/20 0.62
▸ HDAC3 O15379 6/20 0.62
▸ HDAC4 P56524 3/20 0.62
▸ HDAC7 Q8WUI4 3/20 0.62
▸ HDAC10 Q969S8 3/20 0.62
▸ HDAC11 Q96DB2 3/20 0.62
▸ HDAC9 Q9UKV0 3/20 0.62
▸ HDAC5 Q9UQL6 3/20 0.62

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
SCHEMBL8326295 0.89 HDAC1 (0.47) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8325113 0.81 HDAC1 (0.70) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8318675 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8327544 0.78 HDAC1 (0.72) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4631682 0.77 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4631676 0.77 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8321922 0.77 HDAC1 (0.64) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8324026 0.76 HDAC1 (0.72) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8319546 0.74 HDAC1 (0.67) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8319323 0.74 HDAC1 (0.73) 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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
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