SCHEMBL9018513

SCHEMBL9018513

CCCC(CCC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRK1 P41145 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
MCHR1 Q99705 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PPARA Q07869 1/20 0.42
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL9018091 0.97 MEN1 (0.44) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL9018218 0.95 OPRK1 (0.45) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL9018001 0.94 OPRK1 (0.44) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL9017989 0.93 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL9018309 0.92 SCN3A (0.46) OPRK1OPRM1OPRD1CA2CA9
SCHEMBL9018271 0.92 PPARA (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9018167 0.92 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9018100 0.92 PPARA (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9018090 0.91 KMT2A (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9018427 0.91 CA1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1

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