SCHEMBL13201328

SCHEMBL13201328

O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP2 P08253 11/20 0.50
MMP9 P14780 10/20 0.50
ACHE P22303 1/20 0.49
EPHX2 P34913 1/20 0.45
MMP12 P39900 4/20 0.44
MMP8 P22894 4/20 0.41
MMP3 P08254 3/20 0.41
MMP1 P03956 3/20 0.41
MMP14 P50281 3/20 0.41
MMP7 P09237 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41
MMP26 Q9NRE1 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL13201340 0.97 MMP2 (0.53) CA9CA1CA2MMP2MMP9
SCHEMBL8319432 0.88 ACHE (0.52) CA9CA1CA2MMP2MMP9
SCHEMBL2961151 0.88 ACHE (0.52) CA9CA1CA2MMP2MMP9
SCHEMBL8320651 0.87 MMP9 (0.62) CA9MMP2MMP9MMP12MMP8
SCHEMBL13480199 0.86 MMP2 (0.49) CA9MMP2MMP9MMP12MMP8
SCHEMBL13201330 0.86 MMP8 (0.52) CA9MMP2MMP9ACHEMMP12
SCHEMBL16298354 0.86 MMP2 (0.49) CA9MMP2MMP9MMP12MMP8
SCHEMBL13201349 0.86 ACHE (0.49) CA9CA1CA2MMP2ACHE
SCHEMBL8325151 0.84 MMP9 (0.62) CA9MMP2MMP9MMP12MMP8
SCHEMBL2965640 0.84 ACHE (0.55) MMP2MMP9ACHEEPHX2

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
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed