SCHEMBL9018326

SCHEMBL9018326

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
AKR1C3 P42330 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
EGFR P00533 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39

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
SCHEMBL9018403 0.94 PPARA (0.45) PPARAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9018066 0.93 RAB9A (0.48) AKR1C3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9018348 0.92 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9018445 0.92 PPARA (0.46) PPARAAKR1C3MAPTNPC1RAB9A
SCHEMBL9018119 0.92 PPARA (0.49) PPARAAKR1C3MAPTNPC1RAB9A
SCHEMBL9018109 0.92 SMN1; SMN2 (0.51) AKR1C3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9017988 0.91 PPARA (0.48) PPARAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9018230 0.91 PPARA (0.48) PPARAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9018406 0.89 RAB9A (0.45) PPARAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9018003 0.89 CA1 (0.49) AKR1C3MAPTNPC1RAB9ASMN1; SMN2

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