SCHEMBL8058115

SCHEMBL8058115

COC(=O)c1cc2c(cc1C)C(=O)NCS2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PARP1 P09874 1/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
PKLR P30613 1/20 0.34
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL8045078 0.84 MAPT (0.35) MAPTPARP1HSD17B10KDM4EALDH1A1
SCHEMBL8060729 0.82 PTPRC (0.44) MAPTPARP1HSD17B10KDM4EALDH1A1
SCHEMBL8063058 0.82 MAPT (0.39) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8057061 0.79 KDM4E (0.36) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8057299 0.77 MAPT (0.35) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8060732 0.76 ALDH1A1 (0.35) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8045088 0.75 HSD17B10 (0.36) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8060698 0.75 KDM4E (0.36) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8056918 0.75 ALDH1A1 (0.33) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8056913 0.75 ALDH1A1 (0.33) MAPTHSD17B10KDM4EALDH1A1HPGD

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
US-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed