SCHEMBL4035407

SCHEMBL4035407

COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.51
MMP3 P08254 17/20 0.51
MMP9 P14780 16/20 0.51
MMP7 P09237 15/20 0.51
MMP13 P45452 14/20 0.51
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 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
SCHEMBL4036852 0.91 MMP1 (0.50) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4033832 0.90 MMP1 (0.49) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4032608 0.87 MMP1 (0.55) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4035404 0.85 GAA (0.55) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4032585 0.82 MMP1 (0.49) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4038753 0.82 CHRM1 (0.40) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4038132 0.81 MMP1 (0.44) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4034091 0.81 GAA (0.49) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4036727 0.81 CHRM1 (0.48) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4034484 0.79 MMP1 (0.44) MMP1MMP3MMP9MMP7MMP13

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