SCHEMBL8322792

SCHEMBL8322792

O=C(/C=C/c1ccc(Cc2nc(C(=O)N3CCCCC3)c(-c3ccccc3)[nH]2)cc1)NO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.53
HDAC8 Q9BY41 10/20 0.53
HDAC6 Q9UBN7 9/20 0.53
HDAC2 Q92769 7/20 0.53
HDAC3 O15379 6/20 0.53
HDAC4 P56524 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
HDAC7 Q8WUI4 4/20 0.53
KCNH2 Q12809 3/20 0.48
HPGD P15428 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
SCHEMBL8326338 0.82 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8324120 0.80 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8319908 0.78 HDAC1 (0.64) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8324625 0.76 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8320490 0.75 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8319616 0.75 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8318894 0.75 HDAC1 (0.62) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8323071 0.74 HSP90AA1 (0.42) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8322757 0.73 RNASEH1 (0.52) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8318920 0.72 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC2HDAC3

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