SCHEMBL4553442

SCHEMBL4553442

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CC(Cc1ccccc1)S(=O)(=O)OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PHGDH O43175 8/20 0.35
HDAC8 Q9BY41 3/20 0.34
S1PR1 P21453 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PLA2G2A P14555 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL4555121 0.90 MAPK8 (0.35) MEN1KMT2APHGDHPTGDR2SMN1; SMN2
SCHEMBL4553882 0.87 IRAK4 (0.33) MEN1KMT2APHGDHROCK2PIM1
SCHEMBL4554738 0.87 MAPK8 (0.33) MEN1KMT2APHGDHPTGDR2ROCK2
SCHEMBL4554651 0.86 NPY5R (0.34) MEN1KMT2APHGDHPTGDR2ROCK2
SCHEMBL4554827 0.85 OXER1 (0.31) PHGDH
SCHEMBL4553446 0.83 MEN1 (0.40) MEN1KMT2APHGDHHDAC8PLA2G2A
SCHEMBL4554437 0.82 MAPK8 (0.32) SMN1; SMN2PIM1
SCHEMBL4553761 0.81 MAPK8 (0.31) PIM1
SCHEMBL4554504 0.81 NPY5R (0.35)
SCHEMBL4553444 0.76 SMN1; SMN2 (0.44) MEN1KMT2APTGDR2PLA2G2ASMN1; SMN2

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