SCHEMBL8298599

SCHEMBL8298599

Nc1c(-c2cccs2)cccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
TTR P02766 1/20 0.41
LTK P29376 1/20 0.39
CDK5 Q00535 1/20 0.39
MST1R Q04912 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
TDO2 P48775 1/20 0.38
EDNRA P25101 1/20 0.38
KEAP1 Q14145 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8592814 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL8593588 0.84 ALDH1A1 (0.39) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL28547668 0.83 EDNRA (0.47) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL8592813 0.83 HSD17B10 (0.41) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL8298169 0.79 MAPT (0.38) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL8589908 0.78 MAPT (0.38) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL8593607 0.75 TTR (0.39) ALDH1A1HSD17B10TSHRTTRSTAT3
SCHEMBL599747 0.74 TTR (0.59) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL15365507 0.73 TDO2 (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL3478457 0.73 SCN9A (0.49) EDNRASTAT3CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1238765-A N-(imidazoly (butyl) benzenesulphonamide derivatives with anticoagulation active SYNTHEBLABO (FR) 1999-12-15 CN disclosed
EP-0713865-B1 2-Aminobenzenesulphonic acid and 2-aminobenzenesulphonyl chloride derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1999-02-10 EP disclosed
US-5753667-A ANTITHROMBOSIS SYNTHELABO (FR) 1998-05-19 US disclosed
US-5602149-A TREATING OR PREVENTING THROMBOSIS SYNTHELABO (FR) 1997-02-11 US disclosed
EP-0713865-A1 2-Aminobenzenesulphonic acid and 2-aminobenzenesulphonyl chloride derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1996-05-29 EP disclosed