SCHEMBL13635883

SCHEMBL13635883

N#Cc1c(OCc2ccc(P)cc2F)ccn(Cc2cccc(F)c2)c1=O

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.85
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM2 Q14416 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL4382826 0.92 MAPK14 (1.00) MAPK14ALDH1A1KDM4EPKMMEN1
SCHEMBL4376100 0.78 MAPK14 (0.69) MAPK14ALDH1A1KDM4EPKMMEN1
SCHEMBL13635877 0.78 MAPK14 (0.66) MAPK14
SCHEMBL4373903 0.77 MAPK14 (1.00) MAPK14
SCHEMBL4381707 0.77 MAPK14 (0.77) MAPK14POLBTHRB
SCHEMBL4378211 0.77 MAPK14 (0.77) MAPK14
SCHEMBL4383504 0.77 MAPK14 (0.77) MAPK14
SCHEMBL3521630 0.76 MAPK14 (0.71) MAPK14ALDH1A1KDM4EPKMMEN1
SCHEMBL4392630 0.74 MAPK14 (0.68) MAPK14ALDH1A1KDM4EPKMMEN1
SCHEMBL13635286 0.74 MAPK14 (0.66) MAPK14ALDH1A1KDM4EPKMMEN1

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