SCHEMBL8318925

SCHEMBL8318925

O=C(/C=C/c1cccc(C(NC(=O)c2ccccc2)c2ccc(Cl)cc2)c1)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.53
HDAC3 O15379 8/20 0.53
HDAC4 P56524 8/20 0.53
HDAC2 Q92769 8/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC6 Q9UBN7 7/20 0.53
HDAC7 Q8WUI4 6/20 0.53
HDAC9 Q9UKV0 6/20 0.53
HDAC5 Q9UQL6 6/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
SLC6A9 P48067 2/20 0.49
SLC6A5 Q9Y345 2/20 0.49
MEF2D Q14814 1/20 0.48
EGFR P00533 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8320461 0.84 EGFR (0.52) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL8317390 0.81 TDP1 (0.61) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL30530178 0.79 SLC6A9 (0.71) SLC6A9SLC6A5UTS2R
SCHEMBL28466273 0.78 SLC6A9 (0.68) SLC6A9SLC6A5UTS2R
SCHEMBL8317458 0.76 PKM (0.49) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL3458189 0.76 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL3458190 0.76 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL28466269 0.75 HPGDS (0.72) SLC6A9SLC6A5
SCHEMBL26961108 0.73 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL8320373 0.72 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC2HDAC8

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-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed