SCHEMBL5165012

SCHEMBL5165012

O=C(NO)OC1c2ccccc2CCN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 14/20 0.48
▸ MMP3 P08254 13/20 0.48
▸ MMP7 P09237 10/20 0.48
▸ MMP9 P14780 7/20 0.48
▸ MMP13 P45452 6/20 0.48
▸ MMP8 P22894 5/20 0.48
▸ MMP2 P08253 5/20 0.48
▸ ADAM17 P78536 4/20 0.48
▸ MMP14 P50281 3/20 0.48
▸ MMP12 P39900 1/20 0.42
▸ MMP15 P51511 1/20 0.42
▸ MMP16 P51512 1/20 0.42
▸ MMP26 Q9NRE1 1/20 0.42

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
SCHEMBL5160245 0.89 THRB (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5160366 0.89 MMP1 (0.51) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5159963 0.89 THRB (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5164049 0.89 MMP1 (0.52) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5160300 0.89 MMP8 (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5439664 0.88 MMP3 (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5163119 0.87 MMP1 (0.47) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5162513 0.87 MMP1 (0.47) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5163691 0.87 MMP1 (0.55) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4693205 0.87 MMP1 (0.47) MMP1MMP3MMP7MMP9MMP13

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-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 — — EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 — — WO disclosed
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