SCHEMBL9018056

SCHEMBL9018056

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.63
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
PTPN1 P18031 1/20 0.43
GABRA5 P31644 1/20 0.43
EPHX2 P34913 1/20 0.42
OPRK1 P41145 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9018035 0.91 P4HTM (0.58) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9018052 0.90 P4HTM (0.60) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9018045 0.90 P4HTM (0.50) P4HTMOPRM1OPRD1GABRA5EPHX2
SCHEMBL9018542 0.88 GABRA5 (0.49) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9018358 0.87 GABRA5 (0.49) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9018289 0.85 P4HTM (0.46) P4HTMOPRM1OPRD1GABRA5EPHX2
SCHEMBL7862679 0.85 P4HTM (0.56) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL7871645 0.82 P4HTM (0.58) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL7867686 0.82 P4HTM (0.58) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL7870518 0.82 P4HTM (0.64) P4HTMLMNA

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 4 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 claimed
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 claimed
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