SCHEMBL9018296

SCHEMBL9018296

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
POLB P06746 2/20 0.49
EPHX2 P34913 1/20 0.48
HDAC2 Q92769 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
P4HTM Q9NXG6 2/20 0.46
HPGDS O60760 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9018432 0.93 HTT (0.52) HTTALDH1A1GAAHSD17B10HDAC8
SCHEMBL9018282 0.92 RAB9A (0.53) HTTALDH1A1HDAC8HDAC6HDAC2
SCHEMBL9018122 0.91 HTT (0.50) HTTALDH1A1GAAHSD17B10HDAC8
SCHEMBL9018089 0.90 HTT (0.51) HTTALDH1A1GAAHSD17B10HDAC8
SCHEMBL9018085 0.90 RAB9A (0.47) HTTALDH1A1HDAC8HDAC6POLB
SCHEMBL9018007 0.89 ALDH1A1 (0.46) HTTALDH1A1HDAC8HDAC6EPHX2
SCHEMBL7867889 0.89 HTT (0.51) HTTALDH1A1GAAHSD17B10HDAC8
SCHEMBL9018408 0.89 SMN1; SMN2 (0.46) HTTALDH1A1LMNAP4HTM
SCHEMBL9018274 0.87 RAB9A (0.48) ALDH1A1HDAC8HDAC6POLBHDAC2
SCHEMBL9018118 0.87 RAB9A (0.44) HTTALDH1A1RAB9ALMNAMAPK1

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