SCHEMBL9018045

SCHEMBL9018045

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.50
GABRA5 P31644 1/20 0.46
OPRM1 P35372 4/20 0.45
OPRD1 P41143 4/20 0.45
OPRK1 P41145 2/20 0.43
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
CXCR2 P25025 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
HDAC1 Q13547 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
SCHEMBL9018542 0.93 GABRA5 (0.49) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018358 0.92 GABRA5 (0.49) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018410 0.91 P4HTM (0.47) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018485 0.90 GABRA5 (0.49) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018056 0.90 P4HTM (0.63) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018418 0.89 CXCR2 (0.46) GABRA5EPHX2CXCR2
SCHEMBL9018493 0.89 MMP8 (0.49) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018289 0.87 P4HTM (0.46) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018043 0.85 GABRA5 (0.47) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL7874596 0.85 P4HTM (0.45) P4HTMGABRA5OPRM1OPRD1OPRK1

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