SCHEMBL9018070

SCHEMBL9018070

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 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
SCHEMBL9018505 0.94 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL9018274 0.91 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL9018173 0.91 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL7862721 0.90 RAB9A (0.50) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL9018279 0.90 PPARA (0.49) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL9018287 0.90 NPC1 (0.47) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL7874593 0.90 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL9018311 0.89 P4HTM (0.42) MAPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL9018282 0.87 RAB9A (0.53) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9018406 0.87 RAB9A (0.45) MAPTRAB9ANPC1SMN1; SMN2CA1

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