SCHEMBL9017989

SCHEMBL9017989

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
OPRK1 P41145 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
MCHR1 Q99705 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
P4HTM Q9NXG6 2/20 0.43
PPARA Q07869 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
SCHEMBL9018380 0.97 MEN1 (0.46) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9018142 0.95 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9018499 0.94 OPRK1 (0.44) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9018513 0.93 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9018406 0.93 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9018129 0.92 CA1 (0.46) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9018569 0.92 ALDH1A1 (0.43) RAB9ASMN1; SMN2OPRK1OPRM1OPRD1
SCHEMBL9018066 0.92 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL9017988 0.91 PPARA (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9018061 0.91 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTMCHR1

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