SCHEMBL8320562

SCHEMBL8320562

CC(=O)c1[nH]c(Cc2ccc(/C=C/C(=O)NO)cc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.61
HDAC8 Q9BY41 11/20 0.61
HDAC3 O15379 9/20 0.61
HDAC2 Q92769 9/20 0.61
HDAC6 Q9UBN7 8/20 0.61
HDAC4 P56524 5/20 0.61
HDAC7 Q8WUI4 5/20 0.61
HDAC10 Q969S8 5/20 0.61
HDAC11 Q96DB2 5/20 0.61
HDAC9 Q9UKV0 5/20 0.61
HDAC5 Q9UQL6 5/20 0.61

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
SCHEMBL8318920 0.85 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8320537 0.85 HDAC8 (0.42) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8324344 0.81 HDAC8 (0.41) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8323882 0.78 HDAC1 (0.39) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8324611 0.78 HDAC1 (0.69) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL11051532 0.76 RNASEH1 (0.49)
SCHEMBL4631676 0.76 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4631682 0.76 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8321414 0.75 HDAC1 (0.60) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8320556 0.74 HDAC1 (0.51) HDAC1HDAC8HDAC3HDAC2HDAC6

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