SCHEMBL4620378

SCHEMBL4620378

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.33
S1PR1 P21453 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
MIF P14174 1/20 0.31
GABRA1 P14867 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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 0.91 PPARA (0.33) PPARASENP7MIFGABRA1CASP3
SCHEMBL4620002 0.87 PPARA (0.36) PPARASENP7CASP3SENP8SENP6
SCHEMBL4621178 0.84 PPARA (0.31) PPARA
SCHEMBL4623108 0.84 HTT (0.34) PPARA
SCHEMBL4622103 0.83 LMNA (0.35) PPARASENP7MIFGABRA1CASP3
SCHEMBL4620903 0.83 PPARA (0.32) PPARASENP7CASP3SENP8SENP6
SCHEMBL4619193 0.82 LMNA (0.34) PPARASENP7MIFGABRA1CASP3
SCHEMBL4618747 0.82 LMNA (0.34) PPARASENP7MIFGABRA1CASP3
SCHEMBL4094643 0.77 HDAC6 (0.42) PPARASENP7CASP3SENP8SENP6
SCHEMBL4621030 0.76 PTGS2 (0.31)

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