SCHEMBL9018485

SCHEMBL9018485

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.49
P4HTM Q9NXG6 2/20 0.47
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 2/20 0.43
MAPT P10636 3/20 0.41
CXCR2 P25025 2/20 0.41
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CXCR1 P25024 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
SCHEMBL9018160 0.94 GABRA5 (0.51) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018394 0.93 GABRA5 (0.51) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018052 0.90 P4HTM (0.60) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018045 0.90 P4HTM (0.50) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018373 0.90 CXCR2 (0.48) GABRA5MAPTCXCR2CXCR1
SCHEMBL9018064 0.89 MMP8 (0.46) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018545 0.88 GABRA5 (0.47) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018410 0.86 P4HTM (0.47) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9018542 0.84 GABRA5 (0.49) GABRA5P4HTMOPRM1OPRD1OPRK1
SCHEMBL9140454 0.84 P4HTM (0.57) GABRA5P4HTMMAPTSMN1; SMN2

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