SCHEMBL8348240

SCHEMBL8348240

COc1ccc(NC/C=C\N=C(/N)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.71
HDAC2 Q92769 4/20 0.71

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
SCHEMBL1064557 0.84 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL4256767 0.81 HDAC1 (0.82) HDAC1HDAC2
SCHEMBL4256762 0.81 HDAC1 (0.82) HDAC1HDAC2
SCHEMBL1060645 0.78 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL209459 0.76 HDAC1 (0.84) HDAC1HDAC2
SCHEMBL211732 0.76 HDAC1 (0.84) HDAC1HDAC2
SCHEMBL3061708 0.75 HDAC1 (0.63) HDAC1HDAC2
SCHEMBL8069440 0.75 HDAC1 (0.63) HDAC1HDAC2
SCHEMBL1064299 0.74 HDAC1 (0.77) HDAC1HDAC2
SCHEMBL1064968 0.74 HDAC1 (1.00) HDAC1HDAC2

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-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed