SCHEMBL4554440

SCHEMBL4554440

CCCC(CS(=O)(=O)OC(N)=O)c1c(C)nn(C)c1-n1ccc2ccc(Cl)cc21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.31
NPY5R Q15761 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAP3K14 Q99558 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4553763 0.95 ADA (0.31) KMONPY5R
SCHEMBL4554742 0.89 MAPK8 (0.31) NPY5RMAPK8MAPK9MAPK10
SCHEMBL4554506 0.88 NPY5R (0.38) KMONPY5R
SCHEMBL4555123 0.86 MAPK8 (0.33) NPY5RCDK2MAPK8MAPK9MAPK10
SCHEMBL4554830 0.83 OXER1 (0.31)
SCHEMBL4553884 0.82 IRAK4 (0.33) NPY5R
SCHEMBL4554437 0.82 MAPK8 (0.32) KMOCDC7CDK2ROCK1MAP3K14
SCHEMBL4554653 0.81 NPY5R (0.38) NPY5R
SCHEMBL4553446 0.81 MEN1 (0.40)
SCHEMBL4553761 0.79 MAPK8 (0.31) KMOMAPK8MAPK9MAPK10

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed