SCHEMBL29334

SCHEMBL29334

COC(=O)/C=C/c1ccc(CN2CC(C)C[C@@H]2Cc2c(C)[nH]c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.60
KCNH2 Q12809 8/20 0.60
HDAC3 O15379 8/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC4 P56524 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
NCOR2 Q9Y618 4/20 0.45
TET3 O43151 1/20 0.45
BRD4 O60885 1/20 0.45
FOXO1 Q12778 1/20 0.45
TET2 Q6N021 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
TET1 Q8NFU7 1/20 0.45
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6899056 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL29911 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL29913 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL29914 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL29912 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL29499 0.91 HDAC1 (0.59) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL29500 0.91 HDAC1 (0.59) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL15235874 0.86 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL30421 0.84 HDAC1 (0.71) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL30024 0.84 HDAC1 (0.71) HDAC1KCNH2HDAC3HDAC2HDAC4

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-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed