SCHEMBL9018263

SCHEMBL9018263

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.93 HTT (0.50) HTTKMT2AALDH1A1HSD17B10GAA
SCHEMBL9018374 0.91 ALDH1A1 (0.49) HTTKMT2AALDH1A1HSD17B10GAA
SCHEMBL9018178 0.90 ALDH1A1 (0.49) HTTKMT2AALDH1A1HSD17B10GAA
SCHEMBL9018193 0.90 LMNA (0.53) HTTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL7862847 0.88 ALDH1A1 (0.47) HTTKMT2AALDH1A1HSD17B10GAA
SCHEMBL7870547 0.86 HTT (0.48) HTTKMT2AALDH1A1HSD17B10GAA
SCHEMBL9139277 0.85 ALDH1A1 (0.51) HTTKMT2AALDH1A1HSD17B10GAA
SCHEMBL9018241 0.83 LMNA (0.49) HTTKMT2AALDH1A1GAAMAPK1
SCHEMBL9018118 0.82 RAB9A (0.44) HTTKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL9139866 0.82 P4HTM (0.61) HTTKMT2AALDH1A1HSD17B10GAA

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