SCHEMBL4554651

SCHEMBL4554651

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CC(CC1CC1)S(=O)(=O)OC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.34
AHR P35869 1/20 0.33
FPR2 P25090 2/20 0.31
PROKR1 Q8TCW9 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PHGDH O43175 3/20 0.31
BACE1 P56817 1/20 0.31
ROCK2 O75116 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4554504 0.94 NPY5R (0.35) NPY5RFPR2PROKR1
SCHEMBL4555121 0.89 MAPK8 (0.35) PTGDR2MAPK8MAPK9MAPK10PHGDH
SCHEMBL4553882 0.86 IRAK4 (0.33) MAPK8MAPK9MAPK10PHGDHROCK2
SCHEMBL4553442 0.86 MEN1 (0.41) PTGDR2PHGDHROCK2PIM1PIM3
SCHEMBL4554738 0.86 MAPK8 (0.33) PTGDR2MAPK8MAPK9MAPK10PHGDH
SCHEMBL4554827 0.84 OXER1 (0.31) MAPK8MAPK9MAPK10PHGDH
SCHEMBL4554437 0.83 MAPK8 (0.32) MAPK8MAPK9MAPK10PIM1
SCHEMBL4554653 0.82 NPY5R (0.38) NPY5RAHRFPR2PROKR1PHGDH
SCHEMBL4553761 0.82 MAPK8 (0.31) MAPK8MAPK9MAPK10PIM1
SCHEMBL4554506 0.78 NPY5R (0.38) NPY5RFPR2PROKR1

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