SCHEMBL4553446

SCHEMBL4553446

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C(Cc1ccccc1)CS(=O)(=O)OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PHGDH O43175 9/20 0.35
HDAC8 Q9BY41 3/20 0.34
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PLA2G2A P14555 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G4A P47712 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL4555123 0.89 MAPK8 (0.33) MEN1KMT2APHGDHROCK2PIM1
SCHEMBL4554742 0.86 MAPK8 (0.31) PHGDHROCK2PIM1PIM3TRPM8
SCHEMBL4553884 0.86 IRAK4 (0.33) PHGDHROCK2PIM1PIM3
SCHEMBL4554653 0.86 NPY5R (0.38) PHGDHROCK2PIM1PIM3
SCHEMBL4554830 0.84 OXER1 (0.31) PHGDH
SCHEMBL4553442 0.83 MEN1 (0.41) MEN1KMT2APHGDHHDAC8ROCK2
SCHEMBL4554440 0.81 KMO (0.31)
SCHEMBL4553763 0.80 ADA (0.31)
SCHEMBL4554506 0.79 NPY5R (0.38)
SCHEMBL4555121 0.76 MAPK8 (0.35) MEN1KMT2APHGDHROCK2PIM1

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