SCHEMBL9017987

SCHEMBL9017987

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C(C)C)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
P4HTM Q9NXG6 2/20 0.39
EGFR P00533 2/20 0.39
ACACB O00763 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL9018021 0.93 P4HTM (0.44) CA1CA2CA7CA14L3MBTL1
SCHEMBL9018078 0.91 ACACB (0.48) CA1CA2LMNATP53SMN1; SMN2
SCHEMBL9018026 0.90 P4HTM (0.40) CA1CA2CA7CA14L3MBTL1
SCHEMBL9018251 0.87 MAPT (0.49) LMNATP53SMN1; SMN2P4HTMOPRM1
SCHEMBL9018200 0.87 ALDH1A1 (0.48) LMNATP53GAAALDH1A1P4HTM
SCHEMBL9017979 0.86 PPARA (0.50) CA1CA2LMNATP53GAA
SCHEMBL9018220 0.86 PPARA (0.50) CA1CA2LMNATP53GAA
SCHEMBL9018414 0.86 MAPT (0.54) CA1CA2LMNATP53SMN1; SMN2
SCHEMBL9018324 0.86 MAPT (0.54) CA1CA2LMNATP53SMN1; SMN2
SCHEMBL9142957 0.86 P4HTM (0.46) CA1CA2CA7CA14L3MBTL1

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-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed