SCHEMBL13635300

SCHEMBL13635300

Nc1c(OCc2ccc(F)cc2F)cc[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAPK14 Q16539 15/20 0.42
MAOB P27338 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL4384779 0.84 MAPK14 (0.50) IDO1AGXTMAPK14MAOB
SCHEMBL4379080 0.84 MAPK14 (0.52) MAPK14
SCHEMBL21685829 0.76 IDO1 (0.53) IDO1AGXTMAPK14MAOB
SCHEMBL94520 0.73 NSD2 (0.54) IDO1AGXTMAPK14MAOBCYP1A1
SCHEMBL6470945 0.73 MAPK14 (0.47) MAPK14MAOB
SCHEMBL23536359 0.72 IDO1 (0.56) IDO1AGXTMAPK14MAOB
SCHEMBL21685600 0.71 HSPB1 (0.51) IDO1AGXTMAPK14MAOB
SCHEMBL22391935 0.70 HPD (0.47) MAPK14CYP1A2
SCHEMBL13635334 0.70 MAPK14 (0.47) IDO1AGXTMAPK14MAOBCYP1A1
SCHEMBL18783705 0.69 IDO1 (0.56) IDO1AGXTMAPK14MAOB

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