SCHEMBL8327403

SCHEMBL8327403

O=C(O)C1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.39
ACHE P22303 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8320725 0.87 EPHX2 (0.42) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL2953994 0.87 ACHE (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8320723 0.87 PSEN1 (0.43) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL2969395 0.87 TDP1 (0.41) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL2964063 0.87 PSEN1 (0.43) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL8320747 0.87 TDP1 (0.41) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL13201339 0.86 MMP2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8319435 0.86 MMP2 (0.48) ALDH1A1HTTATMACHELMNA
SCHEMBL7971275 0.85 ACHE (0.48) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL8319711 0.85 ALDH1A1 (0.58) TDP1PSEN1PSEN2APH1BNCSTN

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 4 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
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed