SCHEMBL9018524

SCHEMBL9018524

CCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)OC(C)C)nc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA12 O43570 6/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
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
SCHEMBL9018173 0.94 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018413 0.93 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018481 0.93 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018037 0.93 KMT2A (0.53) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9017999 0.92 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018480 0.91 MEN1 (0.47) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018557 0.90 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018127 0.90 PPARA (0.49) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018339 0.90 PPARA (0.49) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018107 0.90 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ACA1

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