SCHEMBL1012211

SCHEMBL1012211

NC(=O)c1cnc(N2CC3C(C2)C3NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.54
HDAC4 P56524 11/20 0.54
HDAC1 Q13547 11/20 0.54
HDAC7 Q8WUI4 11/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC10 Q969S8 11/20 0.54
HDAC11 Q96DB2 11/20 0.54
HDAC8 Q9BY41 11/20 0.54
HDAC6 Q9UBN7 11/20 0.54
HDAC9 Q9UKV0 11/20 0.54
HDAC5 Q9UQL6 11/20 0.54
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CAMK1D Q8IU85 4/20 0.38
STS P08842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8241999 0.89 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012314 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012602 0.81 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012579 0.80 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1013953 0.79 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1010753 0.76 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011598 0.74 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8249425 0.70 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8248010 0.70 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012604 0.69 HDAC3 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed