SCHEMBL13645008

SCHEMBL13645008

O=C(O)CN(CC(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HSP90AA1 P07900 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL13645025 0.91 CA1 (0.54) GAACA1CA2HDAC1HDAC6
SCHEMBL13644984 0.86 NPC1 (0.61) CYP2C19ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27715118 0.86 GAA (0.51) GAAKMT2AMEN1HSP90AA1HDAC1
SCHEMBL17883382 0.81 CA1 (0.66) GAACA1CA2KMT2AMEN1
SCHEMBL9972482 0.81 CA1 (0.66) GAACA1CA2KMT2AMEN1
SCHEMBL202173 0.80 TDP1 (0.50) KMT2AMEN1CYP3A4CYP2C19L3MBTL1
SCHEMBL9705794 0.79 CA1 (0.68) GAACA1CA2KMT2AMEN1
SCHEMBL4793278 0.79 HDAC1 (0.60) GAAKMT2AMEN1HSP90AA1HDAC1
SCHEMBL13645030 0.78 OPRM1 (0.44) GAACA1CA2KMT2AMEN1
SCHEMBL889852 0.78 MEN1 (0.51) GAACA1CA2KMT2AMEN1

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-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed