SCHEMBL9018545

SCHEMBL9018545

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
P4HTM Q9NXG6 2/20 0.43
MCL1 Q07820 1/20 0.40
MAPT P10636 4/20 0.40
CTSA P10619 1/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9018289 0.91 P4HTM (0.46) GABRA5P4HTMMCL1MAPTCTSA
SCHEMBL9018431 0.90 CXCR2 (0.47) GABRA5CXCR1CXCR2POLBRAB9A
SCHEMBL9018485 0.88 GABRA5 (0.49) GABRA5P4HTMMAPTCXCR1CXCR2
SCHEMBL9017990 0.87 GABRA5 (0.43) GABRA5P4HTMMCL1MAPTCTSA
SCHEMBL9018052 0.86 P4HTM (0.60) GABRA5P4HTMMAPTCXCR2OPRM1
SCHEMBL9018160 0.86 GABRA5 (0.51) GABRA5P4HTMMAPTCXCR2OPRM1
SCHEMBL9018394 0.85 GABRA5 (0.51) GABRA5P4HTMMAPTCXCR2OPRM1
SCHEMBL9143098 0.83 P4HTM (0.53) GABRA5P4HTMMCL1MAPTTDP1
SCHEMBL9018048 0.82 NPC1 (0.52) P4HTMMCL1MAPTPOLBRAB9A
SCHEMBL7862809 0.82 GABRA5 (0.43) GABRA5P4HTMMAPTOPRM1OPRD1

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