SCHEMBL9018568

SCHEMBL9018568

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(OC)c(OC)c3)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ROCK2 O75116 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.48
GAA P10253 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
SCHEMBL9018086 0.92 CA1 (0.60) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL7870454 0.91 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL7862678 0.91 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL9018282 0.90 RAB9A (0.53) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL9018133 0.89 CA1 (0.54) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL9018119 0.89 PPARA (0.49) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL9018255 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9018163 0.88 POLB (0.49) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL9018274 0.87 RAB9A (0.48) ALDH1A1LMNASMN1; SMN2MAPTCA1
SCHEMBL9139641 0.87 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MAPK1MAPT

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