SCHEMBL8700610

SCHEMBL8700610

COC(=O)c1cc(S(C)(=O)=O)c(-n2cccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
SLC9A3 P48764 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FBP1 P09467 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8703757 0.88 PKM (0.40) SLC9A1SLC9A3SLC9A2KMT2APKM
SCHEMBL6927272 0.85 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2KMT2ATSHR
SCHEMBL8701738 0.84 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2KMT2AHSD17B10
SCHEMBL8701815 0.84 HTT (0.43) SLC9A1SLC9A3SLC9A2ALDH1A1MAPT
SCHEMBL8699634 0.83 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2ATSHR
SCHEMBL8702119 0.83 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2ATSHR
SCHEMBL8707552 0.81 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2AALDH1A1
SCHEMBL8700069 0.81 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2ATSHR
SCHEMBL8705723 0.80 PSEN1 (0.40) SLC9A1SLC9A3SLC9A2KMT2APKM
SCHEMBL8705626 0.80 VCAM1 (0.50) SLC9A1SLC9A3SLC9A2KMT2AMAPT

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