SCHEMBL9018035

SCHEMBL9018035

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.58
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
PTPN1 P18031 1/20 0.41
GABRA5 P31644 2/20 0.41
LMNA P02545 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
OPRK1 P41145 2/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CXCR2 P25025 1/20 0.39

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
SCHEMBL9018056 0.91 P4HTM (0.63) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9018410 0.91 P4HTM (0.47) P4HTMOPRM1OPRD1GABRA5LMNA
SCHEMBL9018043 0.89 GABRA5 (0.47) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9018368 0.88 GABRA5 (0.46) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9017990 0.87 GABRA5 (0.43) P4HTMOPRM1OPRD1GABRA5CXCR2
SCHEMBL9018052 0.86 P4HTM (0.60) P4HTMOPRM1OPRD1PTPN1GABRA5
SCHEMBL9139661 0.84 P4HTM (0.72) P4HTMPTPN1LMNAOPRK1HPGD
SCHEMBL9018334 0.84 P4HTM (0.58) P4HTMLMNA
SCHEMBL9018441 0.82 GABRA5 (0.52) P4HTMPTPN1GABRA5
SCHEMBL9018143 0.81 SCN3A (0.48) P4HTMOPRM1OPRD1LMNAOPRK1

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