SCHEMBL8701738

SCHEMBL8701738

COC(=O)c1cc(S(C)(=O)=O)c(-n2cccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
SLC9A3 P48764 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EED O75530 1/20 0.39
NR1I2 O75469 1/20 0.39
HTT P42858 1/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8704148 0.88 EED (0.40) SLC9A1SLC9A3SLC9A2L3MBTL1KMT2A
SCHEMBL6927272 0.85 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2KMT2AKDM4E
SCHEMBL8700610 0.84 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2L3MBTL1KMT2A
SCHEMBL8704442 0.84 AAK1 (0.45) GAANR1I2HTTFGFR1SRC
SCHEMBL8444811 0.81 SLC9A1 (0.72) SLC9A1SLC9A3SLC9A2
SCHEMBL8702119 0.81 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2L3MBTL1KMT2A
SCHEMBL8699634 0.81 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2L3MBTL1KMT2A
SCHEMBL8700069 0.81 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2L3MBTL1KMT2A
SCHEMBL8707552 0.81 SLC9A1 (0.46) SLC9A1SLC9A3SLC9A2KMT2AGAA
SCHEMBL8705014 0.80 PSEN1 (0.43) NR1I2FGFR1SRC

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