SCHEMBL8320621

SCHEMBL8320621

CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
NPC1 O15118 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13201289 0.89 POLB (0.62) POLBNPC1KMT2AMEN1USP2
SCHEMBL8324754 0.86 MMP2 (0.48) POLBMMP2MMP9MMP12
SCHEMBL2963202 0.86 MMP2 (0.48) POLBMMP2MMP9MMP12
SCHEMBL13201315 0.85 MMP2 (0.46) MMP2MMP9MMP12
SCHEMBL13201342 0.84 MMP2 (0.52) KMT2AMEN1ALDH1A1LMNAMMP2
SCHEMBL8319573 0.84 MMP2 (0.44) POLBKMT2AALDH1A1LMNAMMP2
SCHEMBL8319091 0.84 MMP9 (0.46) POLBMMP2MMP9MMP12
SCHEMBL13201339 0.84 MMP2 (0.46) POLBALDH1A1MMP2MMP9MMP12
SCHEMBL8324756 0.84 MMP2 (0.46) POLBALDH1A1MMP2MMP9MMP12
SCHEMBL8319548 0.83 ACHE (0.53) KMT2AMEN1ALDH1A1LMNAMMP2

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