SCHEMBL9018089

SCHEMBL9018089

CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
EPHX2 P34913 2/20 0.46
RAB9A P51151 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC2 Q92769 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HPGDS O60760 1/20 0.42

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
SCHEMBL9018134 0.92 RAB9A (0.49) HTTALDH1A1POLBRAB9AHDAC8
SCHEMBL9018147 0.91 RAB9A (0.44) HTTALDH1A1POLBEPHX2RAB9A
SCHEMBL9018099 0.90 SMN1; SMN2 (0.43) HTTEPHX2RAB9ALMNAP4HTM
SCHEMBL9018296 0.90 HTT (0.55) HTTALDH1A1GAAHSD17B10POLB
SCHEMBL9018341 0.88 RAB9A (0.50) POLBRAB9AHDAC8HDAC6HDAC2
SCHEMBL9018272 0.88 RAB9A (0.41) HTTALDH1A1RAB9ALMNAP4HTM
SCHEMBL9018213 0.88 SMN1; SMN2 (0.45) HTTGAARAB9ALMNAP4HTM
SCHEMBL9018122 0.87 HTT (0.50) HTTALDH1A1GAAHSD17B10POLB
SCHEMBL9018432 0.87 HTT (0.52) HTTALDH1A1GAAHSD17B10POLB
SCHEMBL9018238 0.86 KMT2A (0.43) GAARAB9AP4HTM

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