SCHEMBL8348236

SCHEMBL8348236

CNCc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.74
KDM1A O60341 1/20 0.63
MAOA P21397 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC4 P56524 1/20 0.57
EP300 Q09472 1/20 0.57
MEF2D Q14814 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
SCHEMBL8348228 0.85 HDAC1 (0.71) HDAC1KDM1AMAOAHDAC2HDAC4
SCHEMBL8348764 0.85 HDAC1 (1.00) HDAC1KDM1AMAOAHDAC2HDAC4
SCHEMBL1065917 0.85 HDAC1 (1.00) HDAC1KDM1AMAOAHDAC2HDAC4
SCHEMBL1065916 0.85 HDAC1 (1.00) HDAC1KDM1AMAOAHDAC2HDAC4
SCHEMBL1064747 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2D
SCHEMBL8352243 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2D
SCHEMBL13180899 0.83 HDAC1 (0.64) HDAC1KDM1AMAOAHDAC2
SCHEMBL1064746 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2D
SCHEMBL13180844 0.82 HDAC1 (0.74) HDAC1HDAC2HDAC4
SCHEMBL2640602 0.82 HDAC1 (0.66) 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