SCHEMBL3939284

SCHEMBL3939284

CNC(=O)OC(c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.56
HDAC3 O15379 9/20 0.56
HDAC2 Q92769 9/20 0.56
HDAC4 P56524 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
NCOR2 Q9Y618 4/20 0.51
KDM1A O60341 1/20 0.51
CYP3A4 P08684 1/20 0.51
F3 P13726 1/20 0.51
NAMPT P43490 3/20 0.48
EPHA2 P29317 1/20 0.47
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 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
SCHEMBL13110761 0.86 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13110984 0.82 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL210811 0.80 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13110986 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13110753 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13126927 0.78 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13111117 0.78 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13111122 0.78 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL14556230 0.77 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL14556228 0.77 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC4HDAC7

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
US-RE40703-E1 Cell differentiation inducer, benzamide compounds SCHERING AKTIENGESELLSCHAFT (DE) 2009-04-28 US disclosed
US-RE39754-E1 Benzamide derivatives and pharmaceutical compositions containing same SCHERING AG (DE) 2007-07-31 US disclosed