SCHEMBL9233289

SCHEMBL9233289

COC(=O)Oc1ncc(C(=O)NS(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
PTGS1 P23219 2/20 0.54
P4HTM Q9NXG6 4/20 0.52
EGFR P00533 2/20 0.49
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MCL1 Q07820 1/20 0.44
ALKBH2 Q6NS38 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BCAT1 P54687 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL8767487 0.92 PTGS2 (0.55) PTGS2PTGS1P4HTMEGFRGAA
Hydrochloric Acid SCHEMBL9231980 0.91 PTGS2 (0.54) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8766943 0.85 PTGS2 (0.48) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8767482 0.82 PTGS2 (0.58) PTGS2PTGS1P4HTMEGFRGAA
Hydrochloric Acid SCHEMBL8915942 0.81 PTGS2 (0.56) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8875655 0.81 PTGS2 (0.56) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8104048 0.81 PTGS2 (0.44) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL7870518 0.79 P4HTM (0.64) PTGS2PTGS1P4HTMEGFRMCL1
SCHEMBL8090536 0.77 PTGS2 (0.47) PTGS2P4HTMPKM
SCHEMBL8099332 0.77 MEN1 (0.41) PTGS2PTGS1P4HTMEGFRMCL1

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-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
EP-0673932-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed