SCHEMBL8767482

SCHEMBL8767482

COc1cc(C(=O)NS(=O)(=O)c2ccccc2)cnc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58
PTGS1 P23219 5/20 0.58
P4HTM Q9NXG6 4/20 0.56
EGFR P00533 1/20 0.52
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
ALKBH2 Q6NS38 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
FTO Q9C0B1 1/20 0.49
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
BCAT1 P54687 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Hydrochloric Acid SCHEMBL8915942 0.99 PTGS2 (0.56) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8875655 0.92 PTGS2 (0.56) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8915935 0.87 PTGS2 (0.51) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8767487 0.83 PTGS2 (0.55) PTGS2PTGS1P4HTMEGFRGAA
Hydrochloric Acid SCHEMBL9231980 0.82 PTGS2 (0.54) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL9233289 0.82 PTGS2 (0.54) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8874936 0.82 PTGS2 (0.46) PTGS2PTGS1P4HTMEGFRGAA
SCHEMBL8097851 0.82 LMNA (0.51) GAATDP1MEN1LMNAKMT2A
SCHEMBL8875058 0.79 MEN1 (0.45) PTGS2PTGS1P4HTMEGFRMCL1
SCHEMBL8869313 0.78 PTGS2 (0.60) PTGS2PTGS1P4HTMEGFRALKBH2

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-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 1997-08-13 EP disclosed
US-5620996-A Sulfonamidocarbonyl pyridine-2-carboxesteramides and their pyridine-N-oxide compounds and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed