SCHEMBL13201300

SCHEMBL13201300

O=C(Nc1ccccc1)Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)O)C[C@H]4CCC[C@H]43)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
DGAT1 O75907 5/20 0.47
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NAMPT P43490 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL2969347 1.00 LMNA (0.53) LMNAALDH1A1KDM4ETP53MEN1
SCHEMBL13201342 0.91 MMP2 (0.52) LMNAALDH1A1KDM4ETP53MEN1
SCHEMBL2961185 0.90 ATM (0.51) LMNAALDH1A1KDM4ETP53MEN1
SCHEMBL8319712 0.90 ATM (0.51) LMNAALDH1A1KDM4ETP53MEN1
SCHEMBL8319435 0.89 MMP2 (0.48) LMNAALDH1A1HTTATMCA12
SCHEMBL8327363 0.86 MMP2 (0.48) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL2960166 0.86 HSD17B10 (0.46) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL8319058 0.86 HSD17B10 (0.46) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL8328598 0.85 ALDH1A1 (0.51) LMNAALDH1A1KDM4ETP53MEN1
SCHEMBL3162410 0.85 LMNA (0.50) LMNAALDH1A1KDM4ETP53MEN1

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 1 patent. 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