SCHEMBL2408006

SCHEMBL2408006

CN(Cc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2C#N)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
HTR6 P50406 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT5 Q92993 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
SCHEMBL2409996 0.93 HTR6 (0.33) PLCG1KAT8HTR6KAT6AKAT5
SCHEMBL2411042 0.90 HTR6 (0.33) KAT8HTR6KAT6AKAT5
SCHEMBL2409873 0.90 HTR6 (0.34) PLCG1KAT8HTR6KAT6AKAT5
SCHEMBL2411862 0.89 RORC (0.36) PLCG1KAT8HTR6KAT6AKAT5
SCHEMBL4998756 0.89 HTR6 (0.34) KAT8HTR6KAT5
SCHEMBL2410573 0.88 GPBAR1 (0.34) KAT8HTR6KAT6AKAT5
SCHEMBL2409898 0.88 MET (0.38) PLCG1KAT8HTR6KAT6AKAT5
SCHEMBL2408643 0.88 SOS1 (0.33) KAT8HTR6
SCHEMBL2408012 0.84 PTGDR2 (0.31) PLCG1HTR6
SCHEMBL2410115 0.83 RORC (0.38) KAT8HTR6

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