SCHEMBL2412432

SCHEMBL2412432

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2cccnc2Cl)c1F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.35
NFE2L2 Q16236 3/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
PTGDR Q13258 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER2 P43116 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
SCHEMBL4420273 0.93 HTR6 (0.36) HTR6PTGDR2HTR2AHTR2CHTR7
SCHEMBL2412422 0.93 PTGDR2 (0.34) HTR6PTGDR2HTR7
SCHEMBL2412131 0.91 MET (0.40) HTR6NFE2L2PTGDR2KMT2A
SCHEMBL2408074 0.90 HTR6 (0.34) HTR6PTGDR2
SCHEMBL2408863 0.89 GPBAR1 (0.33) HTR6PTGDR2PTGER2
SCHEMBL2409876 0.88 HTR6 (0.34) HTR6PTGDR2HTR2AHTR2CHTR7
SCHEMBL5002833 0.88 NFE2L2 (0.38) HTR6NFE2L2PTGDR2HTR2AHTR2C
SCHEMBL2409039 0.85 RXFP1 (0.33) PTGDR2RXFP1PTGER2
SCHEMBL2407589 0.85 MET (0.39) HTR6PTGDR2
SCHEMBL2412162 0.84 PTGDR2 (0.32) PTGDR2

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