SCHEMBL2408489

SCHEMBL2408489

CSCc1cccc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)c(F)c2-c2cccnc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
SLC6A4 P31645 3/20 0.36
KAT8 Q9H7Z6 1/20 0.32
F2 P00734 3/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTR2A P28223 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL2409035 0.92 HTR2C (0.35) HTR2CSLC6A4KAT8F2HTR2A
SCHEMBL2415887 0.92 HTR2C (0.34) HTR2CSLC6A4KAT8F2HTR2A
SCHEMBL2411933 0.90 HTR2C (0.33) HTR2CSLC6A4KAT8F2HTR2A
SCHEMBL4420269 0.89 HTR6 (0.37) HTR2CSLC6A4KAT8F2HDAC1
SCHEMBL5005937 0.89 HDAC1 (0.33) HDAC1HDAC2HDAC6RXFP1
SCHEMBL2407588 0.88 MET (0.38) HTR2CSLC6A4KAT8F2HTR2A
SCHEMBL2411540 0.87 MET (0.41) F2
SCHEMBL2409254 0.87 F2 (0.34) HTR2CSLC6A4KAT8F2HTR2A
SCHEMBL2410115 0.85 RORC (0.38) KAT8
SCHEMBL2411042 0.85 HTR6 (0.33) HTR2CSLC6A4KAT8F2HTR2A

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