SCHEMBL4620002

SCHEMBL4620002

CCCC(CC)c1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccc(Cl)cc3s2)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.36
CA9 Q16790 1/20 0.33
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL4620411 0.94 PPARA (0.33) PPARACASP3SENP8SENP7SENP6
SCHEMBL4623108 0.90 HTT (0.34) PPARA
SCHEMBL4620378 0.87 PPARA (0.33) PPARACA9CASP3SENP8SENP7
SCHEMBL4621178 0.87 PPARA (0.31) PPARA
SCHEMBL4620903 0.86 PPARA (0.32) PPARACASP3SENP8SENP7SENP6
SCHEMBL4622103 0.83 LMNA (0.35) PPARACASP3SENP8SENP7SENP6
SCHEMBL4619193 0.82 LMNA (0.34) PPARACASP3SENP8SENP7SENP6
SCHEMBL4618747 0.82 LMNA (0.34) PPARACASP3SENP8SENP7SENP6
SCHEMBL4094643 0.75 HDAC6 (0.42) PPARACASP3SENP8SENP7SENP6
SCHEMBL4087175 0.74 CASP3 (0.34) PPARACA9CASP3SENP8SENP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP disclosed