SCHEMBL10375145

SCHEMBL10375145

CC(=O)CC(=O)NS(=O)(=O)O.CC(=O)CC(=O)NS(=O)(=O)O.CC(=O)CC(=O)NS(=O)(=O)O.CC(=O)CC(=O)NS(=O)(=O)O.CC(=O)CC(=O)NS(=O)(=O)O.CC(=O)CC(=O)NS(=O)(=O)O.CC(=O)CC(=O)NS(=O)(=O)O.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PAOX Q6QHF9 1/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL10969272 1.00 FNTA (0.40) FNTAFNTBPAOXCA1CA2
SCHEMBL2534109 1.00 FNTA (0.40) FNTAFNTBPAOXCA1CA2
N,N-Dimethylethanaminium SCHEMBL9638521 0.88 FNTA (0.40) FNTAFNTBPAOXCA1CA2
SCHEMBL28205206 0.87 FNTA (0.47) FNTAFNTBCA1CA2CA4
SCHEMBL3182370 0.87 FNTA (0.47) FNTAFNTBCA1CA2CA4
Trimethylammonium SCHEMBL10838652 0.85 FNTA (0.43) FNTAFNTBPAOXCA1CA2
SCHEMBL27257292 0.84 FNTA (0.46) FNTAFNTBCA1CA2CA4
Fluoride SCHEMBL10492292 0.84 FNTA (0.46) FNTAFNTBCA1CA2CA4
Ammonia Solution, Strong SCHEMBL9638545 0.84 FNTA (0.46) FNTAFNTBCA1CA2CA4
SCHEMBL9639338 0.84 FNTA (0.38) FNTAFNTBPAOXCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155634-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE 2,2-DIOXIDE AND OF ITS NON-TOXIC SALTS, AS WELL AS OF ACETOACETAMIDE-N-SULFONIC ACID OCCURRING AS AN INTERMEDIARY IN THIS PROCESS, AND ITS SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-13 EP disclosed
EP-0155634-A2 Process for the preparation of 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and of its non-toxic salts, as well as of acetoacetamide-N-sulfonic acid occurring as an intermediary in this process, and its salts HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-25 EP disclosed