SCHEMBL13201342

SCHEMBL13201342

O=C(Nc1ccccc1)Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)NO)C[C@H]4CCC[C@H]43)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.52
MMP9 P14780 8/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP12 P39900 3/20 0.48
BRD4 O60885 1/20 0.46
MMP8 P22894 4/20 0.45
MMP3 P08254 3/20 0.45
MMP1 P03956 2/20 0.45
MMP14 P50281 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45

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 0.91 LMNA (0.53) MMP2MMP9LMNAKDM4EMEN1
SCHEMBL13201300 0.91 LMNA (0.53) MMP2MMP9LMNAKDM4EMEN1
SCHEMBL8320651 0.91 MMP9 (0.62) MMP2MMP9MMP12MMP8MMP3
SCHEMBL8325151 0.88 MMP9 (0.62) MMP2MMP9MMP12MMP8MMP3
SCHEMBL8320621 0.84 POLB (0.60) MMP2MMP9LMNAMEN1ALDH1A1
SCHEMBL8319573 0.83 MMP2 (0.44) MMP2MMP9LMNAALDH1A1KMT2A
SCHEMBL16298354 0.83 MMP2 (0.49) MMP2MMP9MMP12MMP8MMP3
SCHEMBL13201330 0.83 MMP8 (0.52) MMP2MMP9MEN1KMT2AMMP12
SCHEMBL13480199 0.83 MMP2 (0.49) MMP2MMP9MMP12MMP8MMP3
SCHEMBL8328598 0.83 ALDH1A1 (0.51) LMNAKDM4EMEN1ALDH1A1TP53

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
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