SCHEMBL8563935

SCHEMBL8563935

COc1cc(CCCC#N)c(OC)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SLC2A1 P11166 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SSTR5 P35346 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
HTR2A P28223 1/20 0.37
TSHR P16473 1/20 0.36
TRAP1 Q12931 1/20 0.36
MPO P05164 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8561757 0.81 PKM (0.45) PKMKDM4EALDH1A1SLC2A1MAPK1
SCHEMBL8562506 0.81 PKM (0.48) PKMKDM4EALDH1A1SLC2A1MAPK1
SCHEMBL8570365 0.79 PKM (0.47) PKMKDM4EALDH1A1SLC2A1MAPK1
SCHEMBL14655775 0.77 TAAR1 (0.56) PKMHTR2A
SCHEMBL8563305 0.77 PKM (0.50) PKMKDM4EALDH1A1SLC2A1MAPK1
SCHEMBL29543480 0.77 TAAR1 (0.56) PKMHTR2A
SCHEMBL8561635 0.77 SLC2A1 (0.44) PKMKDM4EALDH1A1SLC2A1MAPK1
SCHEMBL3577502 0.75 PKM (0.53) PKMKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL9971029 0.75 PKM (0.53) PKMKDM4EALDH1A1SLC2A1MAPK1
Bromide SCHEMBL22778255 0.73 PKM (0.49) PKMKDM4EALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549366-B1 Thiazolidine compounds containing a quinone group, their preparation and their therapeutic uses SANKYO CO (JP) 1998-04-15 EP disclosed
CN-1033639-C Benzoquinonyl-containing thiazolidine compound, preparing process thereof and its application in medicine SANKYO CO (JP) 1996-12-25 CN disclosed
CN-1032751-C thiazolidine compounds, their preparation and their therapeutic use SANKYO CO (JP) 1996-09-11 CN disclosed
EP-0549365-B1 Thiazolidine compounds, their preparation and their therapeutic uses SANKYO CO (JP) 1995-08-09 EP disclosed
US-5338855-A Treating diabetes or hyperlipemia SANKYO COMPANY, LIMITED (JP) 1994-08-16 US disclosed
CN-1074679-A Its preparation of thiazolidine compound and the therepic use thereof that contain quinonyl SANKYO CO (JP) 1993-07-28 CN disclosed
CN-1074680-A Thiazolidine compound, its preparation and therepic use thereof SANKYO CO (JP) 1993-07-28 CN disclosed
EP-0549366-A1 Thiazolidine compounds containing a quinone group, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-06-30 EP disclosed
EP-0549365-A1 Thiazolidine compounds, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-06-30 EP disclosed