SCHEMBL4555121

SCHEMBL4555121

CCC(Cc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21)S(=O)(=O)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
PHGDH O43175 8/20 0.33
PIM1 P11309 3/20 0.32
ROCK2 O75116 1/20 0.32
PIM3 Q86V86 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
CLK2 P49760 1/20 0.32
MAP4K2 Q12851 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL4554738 0.92 MAPK8 (0.33) MAPK8MAPK9MAPK10PHGDHPIM1
SCHEMBL4553882 0.90 IRAK4 (0.33) MAPK8MAPK9MAPK10PHGDHPIM1
SCHEMBL4553442 0.90 MEN1 (0.41) PHGDHPIM1ROCK2PIM3MEN1
SCHEMBL4554651 0.89 NPY5R (0.34) MAPK8MAPK9MAPK10PHGDHPIM1
SCHEMBL4554827 0.88 OXER1 (0.31) MAPK8MAPK9MAPK10PHGDH
SCHEMBL4554437 0.86 MAPK8 (0.32) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL4553761 0.85 MAPK8 (0.31) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL4554504 0.83 NPY5R (0.35)
SCHEMBL4555123 0.81 MAPK8 (0.33) MAPK8MAPK9MAPK10PHGDHPIM1
SCHEMBL4553943 0.77 MAPK8 (0.32) MAPK8MAPK9MAPK10PIM1ROCK2

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