SCHEMBL8767458

SCHEMBL8767458

COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2)cnc1OC(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.48
EGLN1 Q9GZT9 3/20 0.41
SCN9A Q15858 6/20 0.40
PTGER4 P35408 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MET P08581 2/20 0.39
PTPN1 P18031 1/20 0.38
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PTK2B Q14289 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL8090051 0.90 P4HTM (0.45) P4HTMSCN9APTGER4SMPD1HDAC1
SCHEMBL8766943 0.86 PTGS2 (0.48) P4HTMSCN9APTGER4
SCHEMBL8915508 0.85 EGLN1 (0.52) P4HTMEGLN1PTGER4SMPD1HDAC1
SCHEMBL8767779 0.83 GABRA5 (0.39) SCN9ASMPD1PTPN1
SCHEMBL8767147 0.82 MGLL (0.39) SCN9ASMPD1PTPN1
SCHEMBL8766955 0.82 MGLL (0.39) SCN9ASMPD1PTPN1
SCHEMBL8787902 0.77 TP53 (0.48) ALDH1A1MAPK1NPC1RAB9AL3MBTL1
SCHEMBL8104048 0.77 PTGS2 (0.44) P4HTMNPC1RAB9A
SCHEMBL8767162 0.77 LMNA (0.40) P4HTMEGLN1SCN9AL3MBTL1
SCHEMBL8874781 0.76 P4HTM (0.47) P4HTMEGLN1PTGER4PTPN1ALDH1A1

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-0673931-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 1997-08-13 EP disclosed
EP-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed