SCHEMBL5336978

SCHEMBL5336978

CCS(=O)(=O)N1CCN(c2ncc(C(=O)O)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.53
HDAC4 P56524 13/20 0.53
HDAC1 Q13547 13/20 0.53
HDAC7 Q8WUI4 13/20 0.53
HDAC2 Q92769 13/20 0.53
HDAC10 Q969S8 13/20 0.53
HDAC11 Q96DB2 13/20 0.53
HDAC8 Q9BY41 13/20 0.53
HDAC6 Q9UBN7 13/20 0.53
HDAC9 Q9UKV0 13/20 0.53
HDAC5 Q9UQL6 13/20 0.53
SCD O00767 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL4191552 0.86 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydroxyamine SCHEMBL4186584 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3168739 0.81 TDP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319421 0.80 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318872 0.80 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21638175 0.79 SCD (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4190084 0.78 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14575736 0.77 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28919033 0.77 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5335863 0.77 HDAC3 (0.62) 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 claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO claimed