SCHEMBL2411045

SCHEMBL2411045

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.33
HTR6 P50406 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
ATM Q13315 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
NAMPT P43490 1/20 0.31
IDE P14735 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SLC6A9 P48067 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
SCHEMBL2408863 0.93 GPBAR1 (0.33) PTGER2HTR6RORCKDM4ETAS2R14
SCHEMBL2408646 0.92 RORC (0.33) PTGER2HTR6RORCKDM4ETAS2R14
SCHEMBL1832153 0.91 PTGDR2 (0.32) RORCPTGDR2NAMPT
SCHEMBL1833794 0.91 PTGDR2 (0.34) PTGDR2
SCHEMBL2408012 0.90 PTGDR2 (0.31) PTGER2HTR6RORCPTGDR2CHRNB2
SCHEMBL1832666 0.90 PTGDR2 (0.33) RORCPTGDR2
SCHEMBL1830277 0.89 PTGDR2 (0.34) RORCPTGDR2NAMPT
SCHEMBL4420273 0.89 HTR6 (0.36) PTGER2HTR6PTGDR2IDE
SCHEMBL2409445 0.89 ESR1 (0.39) HTR6PTGDR2
SCHEMBL4570003 0.88 TAS2R14 (0.35) RORCTAS2R14PTGDR2NAMPT

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-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed