SCHEMBL6532746

SCHEMBL6532746

O=c1c(OCc2ccccc2)cccn1C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
PTGS2 P35354 2/20 0.47
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
GRM2 Q14416 1/20 0.41
LIPE Q05469 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 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
SCHEMBL2468053 0.77 MAPK14 (0.45) MAPK14MAOB
SCHEMBL11970494 0.76 MAPK14 (0.52) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL23969873 0.75 MAPK14 (0.43) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL8106675 0.75 ALDH1A1 (0.45) MAPK14MAPK1ALPGPTK2B
SCHEMBL271730 0.75 MAPK14 (0.68) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL20386820 0.72 MAPK14 (0.49) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL8100824 0.72 MAPK14 (0.49) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL4478356 0.72 MAPK14 (0.61) MAPK14PTGS2L3MBTL1
SCHEMBL20382942 0.72 MAPK14 (0.52) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL2363045 0.71 GRM2 (0.67) MAPK14MAPTMAPK1TDP1L3MBTL1

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