SCHEMBL2410591

SCHEMBL2410591

CC(C)(C)CN(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2c(F)cccc2F)c1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.33
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL2406679 0.93 PTGDR2 (0.34) PTGDR2MAPTNPSR1L3MBTL1PDE4A
SCHEMBL2415547 0.89 PPME1 (0.35) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2412644 0.88 CHRM5 (0.35) PTGDR2MAPTNPSR1L3MBTL1PDE4A
SCHEMBL4998955 0.88 USP19 (0.34) PTGDR2MAPT
SCHEMBL2410005 0.86 PTGDR2 (0.34) PTGDR2MAPTL3MBTL1PDE4APDE4B
SCHEMBL2414633 0.86 PTGDR2 (0.32) PTGDR2MAPTL3MBTL1PDE4APDE4B
SCHEMBL2409830 0.85 PTGDR2 (0.39) PTGDR2L3MBTL1
SCHEMBL2410366 0.85 ALDH1A1 (0.38) PTGDR2MAPTNPSR1PDE4APDE4B
SCHEMBL2416583 0.85 CTSK (0.33) PTGDR2L3MBTL1PDE4APDE4BPDE4C
SCHEMBL2417463 0.84 PTGDR2 (0.31) PTGDR2PDE4APDE4BPDE4CPDE4D

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