SCHEMBL4032608

SCHEMBL4032608

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.55
MMP9 P14780 3/20 0.55
MMP13 P45452 3/20 0.55
MMP3 P08254 2/20 0.55
MMP7 P09237 2/20 0.55
PKM P14618 4/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CHRM1 P11229 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM5 P08912 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4035407 0.87 MMP1 (0.51) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4035389 0.87 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032585 0.86 MMP1 (0.49) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4038753 0.85 CHRM1 (0.40) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4034091 0.85 GAA (0.49) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4036727 0.84 CHRM1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032606 0.84 GAA (0.57) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4033086 0.82 MMP1 (0.50) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4034484 0.81 MMP1 (0.44) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4036852 0.77 MMP1 (0.50) MMP1MMP9MMP13MMP3MMP7

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed