SCHEMBL8056963

SCHEMBL8056963

COC(=O)c1cc2c(cc1C)C=CS2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
CA9 Q16790 7/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
NOTUM Q6P988 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
SCHEMBL8062874 0.82 CA9 (0.39) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8057300 0.81 CFTR (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8056476 0.78 KDM4E (0.36) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL1574104 0.78 PTPRC (0.49) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8045168 0.77 KDM4E (0.35) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8060802 0.77 ALDH1A1 (0.35) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8045255 0.75 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8058172 0.75 KDM4E (0.36) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8056319 0.74 ALDH1A1 (0.35) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL2430255 0.73 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPT

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