SCHEMBL2409996

SCHEMBL2409996

CN(Cc1cn(S(=O)(=O)c2ccccc2)c(-c2cccnc2C#N)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.33
TNFSF11 O14788 1/20 0.33
PLCG1 P19174 1/20 0.33
HTR2C P28335 4/20 0.33
SLC6A4 P31645 4/20 0.33
F2 P00734 2/20 0.32
KAT8 Q9H7Z6 1/20 0.32
TNF P01375 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
PDK2 Q15119 1/20 0.31
HTR2A P28223 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL2408006 0.93 PLCG1 (0.32) HTR6PLCG1KAT8KAT6AKAT5
SCHEMBL2409873 0.92 HTR6 (0.34) HTR6PLCG1HTR2CSLC6A4F2
SCHEMBL2411862 0.92 RORC (0.36) HTR6PLCG1KAT8KAT6AKAT5
SCHEMBL2409898 0.90 MET (0.38) HTR6PLCG1F2KAT8KAT6A
SCHEMBL5002827 0.89 HTR6 (0.36) HTR6TNFSF11TNFPTGDR2
SCHEMBL2412417 0.88 HTR2C (0.35) HTR6TNFSF11HTR2CSLC6A4F2
SCHEMBL2407583 0.87 SOS1 (0.36) HTR6TNFSF11HTR2CSLC6A4F2
SCHEMBL2410115 0.85 RORC (0.38) HTR6KAT8
SCHEMBL2414827 0.84 ALDH1A1 (0.33) HTR2CSLC6A4PDK2HTR2APTGDR2
SCHEMBL2410603 0.84 HTR6 (0.33) HTR6TNFSF11PLCG1PTGDR2

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