SCHEMBL4718319

SCHEMBL4718319

Nc1ccccc1NC(=O)c1ccc(Cn2cc3cc(N4CCOCC4)ccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.64
HDAC3 O15379 6/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
JAK2 O60674 1/20 0.51
PIK3CA P42336 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL3557631 0.86 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3551291 0.83 HDAC2 (0.63) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3558649 0.82 HDAC2 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL16083166 0.81 HDAC2 (0.71) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3551917 0.81 HDAC2 (0.59) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4760059 0.81 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8231187 0.81 HDAC2 (0.60) HDAC1HDAC3HDAC2
SCHEMBL3551358 0.80 HDAC2 (0.59) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064411 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3556891 0.79 HDAC2 (0.61) HDAC1HDAC3HDAC2

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-1904452-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-04-02 EP claimed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO claimed