SCHEMBL8320604

SCHEMBL8320604

CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)O)C[C@H]4CCC[C@H]43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.42
KIF11 P52732 2/20 0.39
ATM Q13315 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
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
MMP12 P39900 1/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL2960613 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBKIF11
SCHEMBL2960166 0.87 HSD17B10 (0.46) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL8319058 0.87 HSD17B10 (0.46) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL8319435 0.85 MMP2 (0.48) ALDH1A1ATMMMP2MMP9MMP12
SCHEMBL3149439 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1POLBKIF11
SCHEMBL2969347 0.84 LMNA (0.53) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL13201300 0.84 LMNA (0.53) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL2964063 0.84 PSEN1 (0.43) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL8320723 0.84 PSEN1 (0.43) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL13201289 0.83 POLB (0.62) ALDH1A1KMT2AMEN1POLBGAA

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
EP-1585728-B1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP disclosed