SCHEMBL8060732

SCHEMBL8060732

COC(=O)c1cc2c(cc1C)C(=O)OCS2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.34
HSD17B10 Q99714 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
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 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
SCHEMBL8062934 0.84 TSHR (0.35) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL8058188 0.82 KDM4E (0.40) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL8056181 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL8057061 0.79 KDM4E (0.36) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL8057299 0.77 MAPT (0.35) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL8058115 0.76 MAPT (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL8045088 0.75 HSD17B10 (0.36) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL8060698 0.75 KDM4E (0.36) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL8057154 0.74 KDM4E (0.35) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL6784280 0.74 NOTUM (0.40) ALDH1A1LMNAKDM4EMAPTHSD17B10

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