SCHEMBL9018552

SCHEMBL9018552

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HTT P42858 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
CA12 O43570 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
SCHEMBL9018173 0.93 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7870517 0.90 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018340 0.90 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018260 0.90 KMT2A (0.54) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018524 0.89 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9017999 0.88 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018481 0.87 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018413 0.87 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9139467 0.87 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9018251 0.86 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AMEN1

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