SCHEMBL13635320

SCHEMBL13635320

Bc1c(NCc2ccc(Cl)cc2F)ccn(Cc2cccc(F)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
THRB P10828 2/20 0.49
MAPK14 Q16539 4/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IDO1 P14902 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4473754 0.89 MAPK14 (0.55) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL13635755 0.82 ALDH1A1 (0.56) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL4376114 0.80 MAPK14 (0.64) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL3520420 0.75 MAPK14 (0.48) POLBTHRBMAPK14KDM4ELMNA
SCHEMBL13635888 0.72 L3MBTL1 (0.50) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL4474073 0.72 MAPK14 (0.57) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL4376180 0.72 MAPK14 (0.51) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL4374297 0.71 MAPK14 (0.52) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL4389631 0.70 ALDH1A1 (0.55) POLBTHRBMAPK14ALDH1A1KDM4E
SCHEMBL4381707 0.67 MAPK14 (0.77) POLBTHRBMAPK14

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