SCHEMBL7360052

SCHEMBL7360052

CN(CCN(O)C=O)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
MMP13 P45452 4/20 0.45
MMP9 P14780 3/20 0.45
LMNA P02545 7/20 0.44
HTT P42858 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MMP1 P03956 4/20 0.43
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADAM17 P78536 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7924869 0.85 SMN1; SMN2 (0.60) SMN1; SMN2MMP13MMP9LMNAHTT
SCHEMBL7924925 0.77 MMP1 (0.48) SMN1; SMN2MMP13MMP9ALDH1A1MMP1
SCHEMBL7928510 0.72 LMNA (0.50) SMN1; SMN2MMP13MMP9LMNAHTT
SCHEMBL7924930 0.68 MMP1 (0.37) SMN1; SMN2MMP13MMP9MMP1
SCHEMBL7924934 0.68 MMP1 (0.46) MMP9MMP1MMP2
SCHEMBL1101042 0.67 LMNA (0.40) SMN1; SMN2MMP13MMP9LMNAHTT
SCHEMBL1108565 0.67 LMNA (0.40) SMN1; SMN2MMP13MMP9LMNAHTT
SCHEMBL7512941 0.66 PTGS2 (0.55) SMN1; SMN2MMP13MMP9LMNAHTT
SCHEMBL6338957 0.66 MMP1 (0.53) SMN1; SMN2MMP13MMP9LMNAHTT
SCHEMBL7533681 0.65 MMP9 (0.53) MMP13MMP9MMP1ADAM17MMP2

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
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO claimed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed