SCHEMBL6470945

SCHEMBL6470945

COC(=O)c1ccc(-c2c(OCc3ccc(F)cc3F)cc[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.47
MAOB P27338 1/20 0.46
MAP2K4 P45985 1/20 0.40
ROCK2 O75116 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
STRADA Q7RTN6 1/20 0.40
PTGER1 P34995 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6471314 0.77 MAPK14 (0.47) MAPK14MAOBPTGER1
SCHEMBL6473027 0.75 MAPK14 (0.49) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6470962 0.75 MAOB (0.43) MAPK14MAOBMAP2K4MAPK11NPC1
SCHEMBL13635300 0.73 IDO1 (0.46) MAPK14MAOB
SCHEMBL4384779 0.73 MAPK14 (0.50) MAPK14MAOBPTGER1
SCHEMBL4379080 0.73 MAPK14 (0.52) MAPK14
SCHEMBL6473710 0.73 MAPK14 (0.53) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL8926780 0.71 MAPK14 (0.51) MAPK14MAOBPTGER1MAPT
SCHEMBL6473438 0.71 MAPK14 (0.47) MAPK14MAOBPTGER1
SCHEMBL6471836 0.71 MAPK14 (0.47) MAPK14MAOBPTGER1

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed