SCHEMBL8704148

SCHEMBL8704148

COC(=O)c1cc(S(C)(=O)=O)c(-n2ccc(=O)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.40
NR1I2 O75469 1/20 0.39
SLC9A1 P19634 1/20 0.39
SLC9A3 P48764 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8701738 0.88 SLC9A1 (0.49) EEDNR1I2SLC9A1SLC9A3SLC9A2
SCHEMBL8700586 0.86 SLC9A1 (0.50) NR1I2SLC9A1SLC9A3SLC9A2KDM4E
SCHEMBL8703472 0.85 KDM4E (0.41) SLC9A1SLC9A3SLC9A2GAAKDM4E
SCHEMBL8703455 0.85 MAPT (0.41) NR1I2SLC9A1SLC9A3SLC9A2GAA
SCHEMBL8703757 0.85 PKM (0.40) SLC9A1SLC9A3SLC9A2KDM4EKMT2A
SCHEMBL8700375 0.84 SLC9A1 (0.38) SLC9A1SLC9A3SLC9A2KDM4EKMT2A
SCHEMBL8446474 0.82 SLC9A1 (0.58) SLC9A1SLC9A3SLC9A2
SCHEMBL8699798 0.82 CFTR (0.39) SLC9A1SLC9A3SLC9A2KMT2A
SCHEMBL8700491 0.82 SLC9A1 (0.37) EEDSLC9A1SLC9A3SLC9A2KDM4E
SCHEMBL8700680 0.82 GAA (0.38) SLC9A1SLC9A3SLC9A2GAAKDM4E

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed