SCHEMBL4671029

SCHEMBL4671029

O=C(NO)C(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.71
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
ACACB O00763 1/20 0.37
NAMPT P43490 3/20 0.36
MMP13 P45452 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
TDO2 P48775 1/20 0.36
GPR119 Q8TDV5 2/20 0.34
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HCRTR1 O43613 2/20 0.34

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
SCHEMBL4671034 1.00 MMP1 (0.71) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4670756 0.83 MMP1 (1.00) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4670757 0.83 MMP1 (1.00) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4673631 0.81 MMP1 (0.77) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4673634 0.81 MMP1 (0.77) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4670786 0.77 MMP1 (0.82) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4670721 0.77 MMP1 (0.82) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4671105 0.76 MMP1 (0.81) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL4671107 0.76 MMP1 (0.81) MMP1FPR2PROKR1ACACBNAMPT
SCHEMBL14076021 0.75 FPR2 (0.57) MMP1FPR2PROKR1NAMPTTDO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed