SCHEMBL9018311

SCHEMBL9018311

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(C)=O)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ACACB O00763 2/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
OPRK1 P41145 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL9018117 0.92 OPRM1 (0.40) P4HTMCA1CA2CA7CA9
SCHEMBL9018274 0.92 RAB9A (0.48) P4HTMCA1CA2CA7CA9
SCHEMBL9018301 0.91 CA1 (0.41) P4HTMCA1CA2CA7CA9
SCHEMBL9018356 0.90 ALDH1A1 (0.41) P4HTMCA1CA2CA7CA9
SCHEMBL7871648 0.90 RAB9A (0.39) P4HTMCA1CA2CA7CA9
SCHEMBL9018279 0.90 PPARA (0.49) CA1CA2CA7CA9CA14
SCHEMBL9018068 0.90 P4HTM (0.43) P4HTMMTNR1AMTNR1BHDAC2HDAC8
SCHEMBL9018287 0.90 NPC1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL9018343 0.90 CA1 (0.43) P4HTMCA1CA2CA7MTNR1A
SCHEMBL7870462 0.89 NPC1 (0.39) P4HTMCA1CA2CA7CA9

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