SCHEMBL5337583

SCHEMBL5337583

O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccc[nH]4)cc3)CC2)s1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.63
HDAC4 P56524 17/20 0.63
HDAC1 Q13547 17/20 0.63
HDAC7 Q8WUI4 17/20 0.63
HDAC2 Q92769 17/20 0.63
HDAC10 Q969S8 17/20 0.63
HDAC11 Q96DB2 17/20 0.63
HDAC8 Q9BY41 17/20 0.63
HDAC6 Q9UBN7 17/20 0.63
HDAC9 Q9UKV0 17/20 0.63
HDAC5 Q9UQL6 17/20 0.63
SCD O00767 1/20 0.42
RAB9A P51151 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
SCHEMBL4285902 0.90 HDAC1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319421 0.84 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318872 0.81 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5335863 0.78 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4910382 0.78 HDAC2 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4022511 0.77 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319525 0.77 HDAC2 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4180681 0.77 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydroxyamine SCHEMBL6418576 0.75 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28919033 0.74 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed