SCHEMBL9018281

SCHEMBL9018281

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
BCL2L1 Q07817 5/20 0.40
MCL1 Q07820 5/20 0.40
LMNA P02545 4/20 0.40
PTGS2 P35354 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL9018349 0.94 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL9018180 0.89 RAB9A (0.52) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9140133 0.88 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL9018491 0.88 MAPT (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7867706 0.88 HPGD (0.48) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL9018360 0.87 RAB9A (0.50) HPGDSMN1; SMN2NPC1RAB9ABCL2L1
SCHEMBL7862784 0.86 HPGD (0.46) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL7874495 0.85 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL9018550 0.85 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2CA1CA2
SCHEMBL8869616 0.83 HPGD (0.52) ALDH1A1HPGDSMN1; SMN2CA1CA2

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