SCHEMBL1014680

SCHEMBL1014680

O=C(NO)c1cnc(N2CC3C(C2)C3NCc2ccc3cccc(F)c3n2)nc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.73
HDAC4 P56524 20/20 0.73
HDAC1 Q13547 20/20 0.73
HDAC7 Q8WUI4 20/20 0.73
HDAC2 Q92769 20/20 0.73
HDAC10 Q969S8 20/20 0.73
HDAC11 Q96DB2 20/20 0.73
HDAC8 Q9BY41 20/20 0.73
HDAC6 Q9UBN7 20/20 0.73
HDAC9 Q9UKV0 20/20 0.73
HDAC5 Q9UQL6 20/20 0.73
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL1011927 0.85 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL22712412 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL29602260 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL25612092 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL1014672 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL29453926 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL22712415 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Nanatinostat SCHEMBL22712419 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011960 0.78 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8242121 0.77 HDAC3 (1.00) 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 claimed