SCHEMBL4621808

SCHEMBL4621808

CCCc1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccc(F)cc3s2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PTGS2 P35354 4/20 0.33
ILK Q13418 4/20 0.33
PTGS1 P23219 2/20 0.33
F2RL3 Q96RI0 1/20 0.32
DYRK1A Q13627 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MIF P14174 1/20 0.32
GABRA1 P14867 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.31
SREBF1 P36956 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
SCHEMBL4621029 0.88 RORC (0.38) SREBF2CTSSCTSKILKCCNE1
SCHEMBL4622103 0.88 LMNA (0.35) SREBF2CTSSCTSKILKF2RL3
SCHEMBL4093194 0.88 PTGDR2 (0.36) ESR1
SCHEMBL4619193 0.87 LMNA (0.34) SREBF2CTSSCTSKILKF2RL3
SCHEMBL4618747 0.87 LMNA (0.34) SREBF2CTSSCTSKILKF2RL3
SCHEMBL4088762 0.83 PIK3CD (0.34) ESR1
SCHEMBL4621030 0.80 PTGS2 (0.31) PTGS2PTGS1
SCHEMBL4094643 0.78 HDAC6 (0.42)
SCHEMBL4087175 0.77 CASP3 (0.34) MAPT
SCHEMBL4089067 0.76 NPC1 (0.34) TP53MAPT

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