SCHEMBL3933260

SCHEMBL3933260

CC(I)(OC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.65
HDAC3 O15379 10/20 0.65
HDAC2 Q92769 10/20 0.65
HDAC11 Q96DB2 8/20 0.65
HDAC8 Q9BY41 8/20 0.65
HDAC6 Q9UBN7 8/20 0.65
HDAC4 P56524 7/20 0.65
HDAC7 Q8WUI4 7/20 0.65
HDAC10 Q969S8 7/20 0.65
HDAC9 Q9UKV0 7/20 0.65
HDAC5 Q9UQL6 7/20 0.65
NCOR2 Q9Y618 3/20 0.65
CYP3A4 P08684 2/20 0.65
KDM1A O60341 1/20 0.65
F3 P13726 1/20 0.65
NAMPT P43490 3/20 0.57
KCNH2 Q12809 1/20 0.52
NCOR1 O75376 1/20 0.51

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
SCHEMBL4936094 0.81 HDAC1 (0.84) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL2411401 0.80 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC11HDAC8
Entinostat SCHEMBL29499905 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
Entinostat SCHEMBL29387345 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
Entinostat SCHEMBL148309 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
Entinostat SCHEMBL29838042 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
Pyridine SCHEMBL27539543 0.78 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC11HDAC8
Entinostat SCHEMBL2407986 0.78 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL2413003 0.78 HDAC1 (0.83) HDAC1HDAC3HDAC2HDAC11HDAC8
Entinostat SCHEMBL2409897 0.78 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC11HDAC8

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
WO-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed