SCHEMBL9018301

SCHEMBL9018301

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(C)=O)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ACACB O00763 2/20 0.39
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 1/20 0.39
P4HTM Q9NXG6 2/20 0.38
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL9018406 0.93 RAB9A (0.45) CA1CA2CA7CA9CA14
SCHEMBL9018435 0.92 ALDH1A1 (0.39) CA1CA2CA7CA9CA14
SCHEMBL9018311 0.91 P4HTM (0.42) CA1CA2CA7CA9CA14
SCHEMBL9018288 0.91 CA1 (0.43) CA1CA2CA7CA9CA14
SCHEMBL9018198 0.91 OPRM1 (0.40) CA1CA2CA7CA9CA14
SCHEMBL9018403 0.91 PPARA (0.45) CA1CA2CA7CA9CA14
SCHEMBL9018345 0.91 OPRM1 (0.40) CA1CA2CA7CA9CA14
SCHEMBL9018505 0.91 MAPT (0.50) CA1CA2CA7CA9CA14
SCHEMBL9018138 0.90 ACACB (0.44) CA1CA2CA7CA9CA14
SCHEMBL9018066 0.90 RAB9A (0.48) CA1CA2CA7CA9CA14

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