SCHEMBL9018023

SCHEMBL9018023

CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3cccc(OC)c3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
AKR1C3 P42330 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 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
SCHEMBL9018134 0.92 RAB9A (0.49) CA1CA2CA7CA9CA14
SCHEMBL9018133 0.92 CA1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL9018003 0.89 CA1 (0.49) CA1CA2CA7CA9CA14
SCHEMBL9018012 0.89 CA1 (0.50) CA1CA2CA7CA9CA14
SCHEMBL9018207 0.88 PPARA (0.46) CA1CA2CA7CA9CA14
SCHEMBL9018300 0.88 NPC1 (0.42) CA1CA2CA7CA9CA14
SCHEMBL9018272 0.88 RAB9A (0.41) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL7867133 0.88 CA1 (0.51) CA1CA2CA7CA9CA14
SCHEMBL9137818 0.88 CA1 (0.51) CA1CA2CA7CA9CA14
SCHEMBL9018147 0.88 RAB9A (0.44) 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