SCHEMBL8057299

SCHEMBL8057299

COC(=O)c1cc2c(cc1C)C(=O)CCS2(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 2/20 0.34
CYP46A1 Q9Y6A2 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
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

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
SCHEMBL8057061 0.86 KDM4E (0.36) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL8058163 0.84 CTSL (0.37) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8063021 0.81 LMNA (0.40) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL1102209 0.80 ALDH1A1 (0.45) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL8045335 0.77
SCHEMBL8058115 0.77 MAPT (0.39) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL8060732 0.77 ALDH1A1 (0.35) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL8045088 0.76 HSD17B10 (0.36) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL8060691 0.76 LMNA (0.51) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL8060698 0.76 KDM4E (0.36) MAPTALDH1A1KDM4EGLAGAA

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