SCHEMBL9018043

SCHEMBL9018043

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCCc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.47
P4HTM Q9NXG6 2/20 0.45
OPRM1 P35372 5/20 0.43
OPRD1 P41143 5/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.41
GCK P35557 1/20 0.40
OPRK1 P41145 3/20 0.39
NOX1 Q9Y5S8 1/20 0.38
PTPN1 P18031 1/20 0.38
EPHX2 P34913 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
SCHEMBL9018368 0.97 GABRA5 (0.46) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9018410 0.94 P4HTM (0.47) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9018542 0.92 GABRA5 (0.49) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9018358 0.89 GABRA5 (0.49) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9018035 0.89 P4HTM (0.58) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9018441 0.88 GABRA5 (0.52) GABRA5P4HTMPTPN1
SCHEMBL9018160 0.87 GABRA5 (0.51) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL7871588 0.86 P4HTM (0.51) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9017990 0.86 GABRA5 (0.43) GABRA5P4HTMOPRM1OPRD1GCK
SCHEMBL9140455 0.86 P4HTM (0.55) GABRA5P4HTMHDAC1HDAC8HDAC6

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