SCHEMBL9018505

SCHEMBL9018505

CCOc1ccc(C(=O)NCCc2cccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)OC(CC)CC)nc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTT P42858 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL9018406 0.94 RAB9A (0.45) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018070 0.94 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018403 0.92 PPARA (0.45) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018288 0.92 CA1 (0.43) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018301 0.91 CA1 (0.41) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9017999 0.91 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018066 0.90 RAB9A (0.48) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018495 0.89 POLB (0.43) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018003 0.89 CA1 (0.49) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL9018109 0.88 SMN1; SMN2 (0.51) MAPTSMN1; SMN2NPC1RAB9ALMNA

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