SCHEMBL9018374

SCHEMBL9018374

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL9018476 0.91 HTT (0.50) ALDH1A1HSD17B10HPGDRAB9ASMN1; SMN2
SCHEMBL9018095 0.91 LMNA (0.47) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL9018263 0.91 HTT (0.51) ALDH1A1HSD17B10SMN1; SMN2HTTKMT2A
SCHEMBL9018178 0.88 ALDH1A1 (0.49) ALDH1A1HSD17B10HPGDRAB9ASMN1; SMN2
SCHEMBL9018055 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HTTKMT2A
SCHEMBL9018331 0.84 RAB9A (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2HTT
SCHEMBL9017983 0.84 CA12 (0.46) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL9018075 0.84 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2HTTKMT2AGAA
SCHEMBL9018177 0.83 RAB9A (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2HTT
SCHEMBL9018252 0.83 MEN1 (0.39) ALDH1A1SMN1; SMN2KMT2AGAA

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