SCHEMBL8327745

SCHEMBL8327745

O=C(/C=C/c1ccc(Cc2ncc(-c3ccc(O)cc3)[nH]2)cc1)NO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.56
HDAC8 Q9BY41 8/20 0.56
HDAC1 Q13547 7/20 0.56
HDAC3 O15379 6/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56

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
SCHEMBL8320427 0.90 HDAC2 (0.56) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8325359 0.82 CA12 (0.43)
SCHEMBL8323871 0.78 HDAC2 (0.55) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8323151 0.77 HDAC1 (0.54) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8323117 0.77 HDAC1 (0.52) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL8319501 0.76 THRB (0.54) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL13960334 0.75 HPGDS (0.61)
SCHEMBL3291655 0.74 HDAC2 (1.00) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL3291661 0.74 HDAC2 (1.00) HDAC2HDAC8HDAC1HDAC3HDAC6
SCHEMBL14244759 0.72 HDAC2 (0.89) HDAC2HDAC8HDAC1HDAC3HDAC6

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