SCHEMBL9018403

SCHEMBL9018403

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)c3ccc(Cl)cc3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NAMPT P43490 1/20 0.41
EGFR P00533 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 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
SCHEMBL9018326 0.94 PPARA (0.45) PPARASMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL9018406 0.94 RAB9A (0.45) PPARACA1CA2CA7CA9
SCHEMBL9018505 0.92 MAPT (0.50) PPARACA1CA2CA7CA9
SCHEMBL9018288 0.92 CA1 (0.43) CA1CA2CA7CA9CA14
SCHEMBL9018279 0.92 PPARA (0.49) PPARACA1CA2CA7CA9
SCHEMBL9018301 0.91 CA1 (0.41) CA1CA2CA7CA9CA14
SCHEMBL9018230 0.91 PPARA (0.48) PPARACA1CA2CA9SMN1; SMN2
SCHEMBL9017988 0.91 PPARA (0.48) PPARACA1CA2CA9SMN1; SMN2
SCHEMBL9018248 0.91 NLRP3 (0.52) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL9018066 0.90 RAB9A (0.48) CA1CA2CA7CA9CA14

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