SCHEMBL8104048

SCHEMBL8104048

CCOC(=O)CNC(=O)Oc1ncc(C(=O)NS(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.44
EGFR P00533 1/20 0.43
P4HTM Q9NXG6 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 3/20 0.39
GAA P10253 1/20 0.39
P2RY12 Q9H244 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
MCL1 Q07820 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8099332 0.90 MEN1 (0.41) PTGS2PTGS1EGFRP4HTMMCL1
SCHEMBL8766943 0.90 PTGS2 (0.48) PTGS2PTGS1EGFRP4HTMPKM
SCHEMBL8096944 0.88 SMN1; SMN2 (0.39) PTGS2EGFRP4HTMSMN1; SMN2KMT2A
SCHEMBL8090051 0.88 P4HTM (0.45) P4HTMSMN1; SMN2KMT2A
SCHEMBL8099328 0.87 P4HTM (0.37) PTGS2EGFRP4HTMSMN1; SMN2NPC1
SCHEMBL8874936 0.86 PTGS2 (0.46) PTGS2PTGS1EGFRP4HTMSMN1; SMN2
SCHEMBL8768279 0.85 LMNA (0.42) SMN1; SMN2KMT2A
SCHEMBL8090622 0.83 SMN1; SMN2 (0.39) SMN1; SMN2PKMKMT2A
SCHEMBL8767487 0.82 PTGS2 (0.55) PTGS2PTGS1EGFRP4HTMPKM
Hydrochloric Acid SCHEMBL9231980 0.81 PTGS2 (0.54) PTGS2PTGS1EGFRP4HTMPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673932-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 2000-06-07 EP disclosed
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