SCHEMBL4621029

SCHEMBL4621029

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.38
NPC1 O15118 4/20 0.34
LMNA P02545 3/20 0.34
SREBF2 Q12772 3/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 6/20 0.34
HPGD P15428 5/20 0.34
GAA P10253 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GLA P06280 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ILK Q13418 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL4622103 0.89 LMNA (0.35) NPC1LMNASREBF2MAPTHPGD
SCHEMBL4619193 0.88 LMNA (0.34) NPC1LMNASREBF2MAPTHPGD
SCHEMBL4621808 0.88 SREBF2 (0.34) SREBF2MAPTCTSSCTSKILK
SCHEMBL4618747 0.88 LMNA (0.34) NPC1LMNASREBF2MAPTHPGD
SCHEMBL4089067 0.88 NPC1 (0.34) RORCNPC1ALDH1A1MAPTHPGD
SCHEMBL4083068 0.83 PIK3CD (0.33) RORCNPC1ALDH1A1MAPTHPGD
SCHEMBL4085450 0.79 KDM4E (0.36) NPC1LMNAALDH1A1MAPTHPGD
SCHEMBL4094643 0.79 HDAC6 (0.42) MEN1KMT2A
SCHEMBL4087175 0.77 CASP3 (0.34) NPC1ALDH1A1MAPTKDM4EMEN1
SCHEMBL4093006 0.77 MEN1 (0.33) RORCLMNAALDH1A1MAPTGAA

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 claimed