SCHEMBL13635755

SCHEMBL13635755

Bc1c(NCc2ccccc2)ccn(Cc2cccc(F)c2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK14 Q16539 3/20 0.49
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
GRM2 Q14416 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
DBH P09172 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
PDE1C Q14123 2/20 0.42
HTT P42858 1/20 0.42
PTGER3 P43115 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
CLPP Q16740 1/20 0.41

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
SCHEMBL4389631 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL13635320 0.82 POLB (0.49) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL4474073 0.81 MAPK14 (0.57) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL28783619 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL4380091 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL13635888 0.77 L3MBTL1 (0.50) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL4478413 0.76 MAPK14 (0.56) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL4383133 0.74 MAPK14 (0.49) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL4376114 0.74 MAPK14 (0.64) ALDH1A1KDM4EL3MBTL1MAPK14POLB
SCHEMBL4476585 0.71 MAPK14 (0.51) ALDH1A1KDM4EL3MBTL1MAPK14POLB

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed