SCHEMBL8348228

SCHEMBL8348228

NCc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.71
HDAC2 Q92769 3/20 0.60
KDM1A O60341 1/20 0.60
MAOA P21397 1/20 0.60
HDAC4 P56524 1/20 0.60
EP300 Q09472 1/20 0.60
MEF2D Q14814 1/20 0.60

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
SCHEMBL2640602 0.85 HDAC1 (0.66) HDAC1HDAC2
SCHEMBL8348236 0.85 HDAC1 (0.74) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3228583 0.85 EGFR (0.71) HDAC1HDAC2MAOAHDAC4EP300
SCHEMBL3228591 0.85 EGFR (0.71) HDAC1HDAC2MAOAHDAC4EP300
SCHEMBL7978520 0.84 HDAC1 (0.64) HDAC1HDAC2
SCHEMBL1065917 0.83 HDAC1 (1.00) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL1065916 0.83 HDAC1 (1.00) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL8348764 0.83 HDAC1 (1.00) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL4536420 0.83 TRPA1 (0.68) HDAC1HDAC2HDAC4MEF2D
SCHEMBL4536422 0.83 TRPA1 (0.68) HDAC1HDAC2HDAC4MEF2D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed