SCHEMBL8319908

SCHEMBL8319908

O=C(/C=C/c1ccc(Cc2nc(CO)c(-c3ccccc3)[nH]2)cc1)NO

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.64
HDAC8 Q9BY41 11/20 0.64
HDAC2 Q92769 10/20 0.64
HDAC6 Q9UBN7 10/20 0.64
HDAC3 O15379 8/20 0.64
HDAC4 P56524 7/20 0.64
HDAC7 Q8WUI4 6/20 0.64
HDAC10 Q969S8 6/20 0.64
HDAC11 Q96DB2 6/20 0.64
HDAC9 Q9UKV0 6/20 0.64
HDAC5 Q9UQL6 6/20 0.64
KCNH2 Q12809 1/20 0.48

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
SCHEMBL8319616 0.90 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8320490 0.88 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8326338 0.84 HDAC1 (0.58) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8324625 0.83 HDAC1 (0.55) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8324120 0.81 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4631682 0.78 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4631676 0.78 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8318920 0.78 HDAC1 (0.61) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8322792 0.78 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8320543 0.77 HDAC3 (0.44) 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