SCHEMBL6652310

SCHEMBL6652310

O=c1[nH]cc(Cc2cccc(F)c2)c(OCc2ccc(F)cc2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
DPYD Q12882 1/20 0.43
MAOB P27338 4/20 0.40
DAO P14920 3/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL6652195 0.89 MAPK14 (0.38) MAPK14DPYDMAOBDAOGAA
SCHEMBL6648037 0.88 THRA (0.41) DPYDMAOBDAOPDE3BPDE3A
SCHEMBL4379215 0.82 MAPT (0.41) MAPK14DPYDMAOBDAOGAA
SCHEMBL6832447 0.82 FFAR1 (0.41) MAOBDAOGAAL3MBTL1MAPT
SCHEMBL6650193 0.79 DAO (0.43) MAPK14DAOPDE3BPDE3AMAPT
SCHEMBL6471595 0.78 DAO (0.39) DPYDDAOPDE3BPDE3A
SCHEMBL6471736 0.77 MAPK14 (0.42) MAPK14MAOB
SCHEMBL6471484 0.77 DPYD (0.46) MAPK14DPYDGAAMAPTKMT2A
SCHEMBL6647299 0.77 DAO (0.52) DAOPDE3BPDE3A
SCHEMBL6472836 0.76 NR4A1 (0.47) DPYDKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed