SCHEMBL9017990

SCHEMBL9017990

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.43
P4HTM Q9NXG6 4/20 0.43
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
CTSA P10619 2/20 0.39
MCL1 Q07820 1/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
MCHR1 Q99705 1/20 0.37
GCK P35557 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36

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 0.92 P4HTM (0.46) GABRA5P4HTMGRNSORT1CXCR1
SCHEMBL9018316 0.90 CXCR1 (0.45) GABRA5CXCR1CXCR2RAB9ASMN1; SMN2
SCHEMBL9018410 0.88 P4HTM (0.47) GABRA5P4HTMOPRM1OPRD1RAB9A
SCHEMBL9018545 0.87 GABRA5 (0.47) GABRA5P4HTMGRNSORT1CXCR1
SCHEMBL9018035 0.87 P4HTM (0.58) GABRA5P4HTMCXCR2OPRM1OPRD1
SCHEMBL9018043 0.86 GABRA5 (0.47) GABRA5P4HTMOPRM1OPRD1GCK
SCHEMBL9018368 0.85 GABRA5 (0.46) GABRA5P4HTMOPRM1OPRD1GCK
SCHEMBL9143059 0.85 P4HTM (0.53) P4HTMMCL1RAB9AMAPTNPC1
SCHEMBL9018441 0.83 GABRA5 (0.52) GABRA5P4HTMMAPT
SCHEMBL9018180 0.82 RAB9A (0.52) GABRA5P4HTMMCL1RAB9ANPC1

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