SCHEMBL13180899

SCHEMBL13180899

CN(C)CCNCc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.64
KDM1A O60341 1/20 0.56
MAOA P21397 1/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL8348236 0.83 HDAC1 (0.74) HDAC1KDM1AMAOAHDAC2
SCHEMBL19609271 0.82 HDAC1 (0.66) HDAC1KDM1AMAOAHDAC2
SCHEMBL8348228 0.79 HDAC1 (0.71) HDAC1KDM1AMAOAHDAC2
SCHEMBL1065917 0.78 HDAC1 (1.00) HDAC1KDM1AMAOAHDAC2
SCHEMBL8348764 0.78 HDAC1 (1.00) HDAC1KDM1AMAOAHDAC2
SCHEMBL1065916 0.78 HDAC1 (1.00) HDAC1KDM1AMAOAHDAC2
SCHEMBL17483912 0.77 HDAC1 (0.68) HDAC1KDM1AMAOAHDAC2
SCHEMBL1065134 0.77 HDAC1 (0.80) HDAC1HDAC2
SCHEMBL1065131 0.77 HDAC1 (0.80) HDAC1HDAC2
SCHEMBL2732582 0.77 HDAC1 (0.80) 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
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed