SCHEMBL4620903

SCHEMBL4620903

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
SENP7 Q9BQF6 2/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL4620411 0.89 PPARA (0.33) PPARAMAPTSENP7CASP3SENP8
SCHEMBL4620002 0.86 PPARA (0.36) PPARASENP7CASP3SENP8SENP6
SCHEMBL4623108 0.85 HTT (0.34) PPARAMAPK1
SCHEMBL4621178 0.84 PPARA (0.31) PPARA
SCHEMBL4620378 0.83 PPARA (0.33) PPARAMAPTSENP7CASP3SENP8
SCHEMBL4092707 0.79 MAPT (0.33) MAPTSENP7CASP3SENP8SENP6
SCHEMBL4622103 0.77 LMNA (0.35) PPARAMAPTSENP7CASP3SENP8
SCHEMBL4619193 0.76 LMNA (0.34) PPARAMAPTSENP7CASP3SENP8
SCHEMBL4618747 0.76 LMNA (0.34) PPARAMAPTSENP7CASP3SENP8
SCHEMBL4085450 0.75 KDM4E (0.36) MAPTMAPK1SENP7CASP3SENP8

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