SCHEMBL4553943

SCHEMBL4553943

Cc1ccc(S(=O)(=O)OC(N)=O)c(Cc2c(C)nn(C)c2-n2ccc3cc(Cl)ccc32)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ROCK2 O75116 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
GALR3 O60755 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL4553080 0.91 PTGS2 (0.34) PTGDR2PPARG
SCHEMBL4553942 0.80 ROCK2 (0.33) MAPK8MAPK9ROCK2PIM1PIM3
SCHEMBL4555121 0.77 MAPK8 (0.35) MAPK8MAPK9MAPK10ROCK2PIM1
SCHEMBL4553079 0.77 NR1I2 (0.35) PTGDR2
SCHEMBL4553882 0.75 IRAK4 (0.33) MAPK8MAPK9MAPK10ROCK2PIM1
SCHEMBL4553442 0.75 MEN1 (0.41) ROCK2PIM1PIM3PTGDR2SMN1; SMN2
SCHEMBL4554738 0.75 MAPK8 (0.33) MAPK8MAPK9MAPK10ROCK2PIM1
SCHEMBL4554651 0.74 NPY5R (0.34) MAPK8MAPK9MAPK10ROCK2PIM1
SCHEMBL961862 0.73 PTGDR2 (0.48) MAPK8MAPK9MAPK10PTGDR2
SCHEMBL4554827 0.73 OXER1 (0.31) MAPK8MAPK9MAPK10IRAK4

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