SCHEMBL5162221

SCHEMBL5162221

Cc1ccc(F)c2c1CCN(S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)C2OC(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.42
MMP3 P08254 5/20 0.42
POLB P06746 1/20 0.38
MMP2 P08253 5/20 0.37
MMP9 P14780 4/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MMP1 P03956 5/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MMP12 P39900 2/20 0.36
MMP14 P50281 2/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5160889 0.93 MMP1 (0.45) MMP8MMP3MMP2MMP9MMP1
SCHEMBL5188709 0.93 MMP1 (0.45) MMP8MMP3MMP2MMP9MMP1
SCHEMBL5164149 0.93 MMP1 (0.45) MMP8MMP3MMP2MMP9MMP1
SCHEMBL5163447 0.89 MMP3 (0.41) MMP8MMP3POLBMMP2MMP9
SCHEMBL5441525 0.89 PSEN1 (0.38) MMP8MMP3POLBPSEN1PSEN2
SCHEMBL5160057 0.86 MMP1 (0.46) MMP3MMP2MMP9MMP1HCRTR1
SCHEMBL5164121 0.86 MMP1 (0.46) MMP3MMP2MMP9MMP1HCRTR1
SCHEMBL5161051 0.86 MMP1 (0.46) MMP3MMP2MMP9MMP1HCRTR1
SCHEMBL5163129 0.85 MMP3 (0.41) MMP8MMP3POLBMMP2MMP9
SCHEMBL5163203 0.84 MMP1 (0.46) MMP8MMP3MMP2MMP9MMP1

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