SCHEMBL8319264

SCHEMBL8319264

Cc1cn(Cc2ccc(/C=C/C(=O)NO)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.54
HDAC8 Q9BY41 11/20 0.54
HDAC1 Q13547 11/20 0.54
HDAC3 O15379 8/20 0.54
HDAC2 Q92769 8/20 0.54
HDAC4 P56524 6/20 0.54
HDAC7 Q8WUI4 6/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC11 Q96DB2 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC5 Q9UQL6 6/20 0.54
TBXAS1 P24557 1/20 0.46

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
SCHEMBL8324714 0.87 CA12 (0.48) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL8326744 0.80 HDAC1 (0.56) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL8319569 0.78 TGFBR1 (0.44) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL8319313 0.77 TBXAS1 (0.76) TBXAS1
SCHEMBL8319267 0.75 HDAC6 (0.55) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL27900979 0.75 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL6531587 0.72 PHF8 (0.51)
SCHEMBL8256427 0.72 HDAC3 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL723567 0.71 HDAC1 (0.64) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL723568 0.71 HDAC1 (0.64) HDAC6HDAC8HDAC1HDAC3HDAC2

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