SCHEMBL9018086

SCHEMBL9018086

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.57
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL9018182 0.93 CA1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL9018568 0.92 ALDH1A1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL9018194 0.90 TSHR (0.56) CA1CA2CA7CA9CA14
SCHEMBL7871641 0.90 CA1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL7862780 0.90 CA1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL9018057 0.89 KMT2A (0.58) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL9018029 0.88 MEN1 (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL7870510 0.88 CA1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL9018049 0.87 MAPT (0.54) CA1CA2CA9MAPTLMNA
SCHEMBL9018181 0.87 MAPT (0.54) CA1CA2CA9MAPTLMNA

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