SCHEMBL9018052

SCHEMBL9018052

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.60
GABRA5 P31644 1/20 0.45
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 4/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PTPN1 P18031 1/20 0.41
CXCR2 P25025 1/20 0.41
JMJD7 P0C870 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EPHX2 P34913 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR4 O95977 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
SCHEMBL9018485 0.90 GABRA5 (0.49) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018056 0.90 P4HTM (0.63) P4HTMGABRA5OPRM1OPRD1ALDH1A1
SCHEMBL9018160 0.89 GABRA5 (0.51) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018394 0.88 GABRA5 (0.51) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018545 0.86 GABRA5 (0.47) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018035 0.86 P4HTM (0.58) P4HTMGABRA5OPRM1OPRD1OPRK1
SCHEMBL9018013 0.84 P4HTM (0.58) P4HTMGABRA5MAPT
SCHEMBL9139088 0.82 P4HTM (0.72) P4HTMGABRA5ALDH1A1MAPTMITF
SCHEMBL9018016 0.81 SCN3A (0.49) P4HTMOPRM1OPRD1ALDH1A1OPRK1
SCHEMBL9018429 0.80 NPC1 (0.51) P4HTMOPRM1OPRD1KDM4EOPRK1

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