SCHEMBL4082911

SCHEMBL4082911

N#Cc1cccc(-c2cscn2)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
LRRK2 Q5S007 4/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
SCN9A Q15858 1/20 0.37
BCAT1 P54687 1/20 0.36
EGLN2 Q96KS0 2/20 0.36
CASP6 P55212 1/20 0.36
IDO1 P14902 2/20 0.34
ADORA2A P29274 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL1536988 0.83 MAPK1 (0.47) MAPK1HCRTR1HCRTR2SCN9AIDO1
SCHEMBL27928104 0.78 SCN9A (0.41) HCRTR1HCRTR2SCN9ABCAT1CASP6
SCHEMBL1868592 0.76 SCN9A (0.40) HCRTR1HCRTR2SCN9ACASP6IDO1
SCHEMBL30814370 0.74 GRIA1 (0.43) MAPK1LRRK2BCAT1ADORA2A
SCHEMBL28856972 0.74 GRIA1 (0.43) MAPK1LRRK2BCAT1ADORA2A
SCHEMBL5337879 0.73 MAPK1 (0.40) MAPK1HCRTR1HCRTR2SCN9A
SCHEMBL30719203 0.72 HTT (0.41) LRRK2BCAT1EGLN2CASP6ADORA2A
SCHEMBL26259974 0.72 SCN9A (0.43) SCN9ACASP6IDO1TDO2
SCHEMBL21596836 0.71 LRRK2 (0.43) LRRK2BCAT1EGLN2ADORA2A
SCHEMBL30042177 0.71 MAPK1 (0.42) MAPK1LRRK2HCRTR1HCRTR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed