SCHEMBL4553375

SCHEMBL4553375

Cc1nn(C)c(-n2ccc3cc(Cl)cnc32)c1CCS(=O)(=O)OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
IRAK4 Q9NWZ3 6/20 0.32
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
MAPT P10636 1/20 0.30
KLKB1 P03952 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
SCHEMBL4570113 0.88 IRAK4 (0.33) LMNAIRAK4ALDH1A1SMN1; SMN2
SCHEMBL962959 0.86 HPGD (0.32) LMNAIRAK4
SCHEMBL5120302 0.84 IRAK4 (0.34) LMNAIRAK4FGFR1FGFR4ALDH1A1
SCHEMBL962516 0.79 IRAK4 (0.32) IRAK4
SCHEMBL967553 0.79 IRAK4 (0.33) IRAK4
SCHEMBL963704 0.78 PPARG (0.40) IRAK4
SCHEMBL963357 0.78 NR3C1 (0.33) IRAK4
SCHEMBL966059 0.77 IRAK4 (0.35) IRAK4
SCHEMBL964636 0.77 ALDH1A1 (0.35) LMNAIRAK4ALDH1A1SMN1; SMN2
SCHEMBL966365 0.76 IRAK4 (0.31) IRAK4

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 3 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-2009084614-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-09 WO disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed