SCHEMBL4037013

SCHEMBL4037013

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NCCCc3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.53
MMP3 P08254 7/20 0.53
MMP7 P09237 7/20 0.53
MMP9 P14780 7/20 0.53
MMP13 P45452 5/20 0.52
GAA P10253 1/20 0.51
FKBP1A P62942 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.46

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
SCHEMBL4037009 0.87 ALDH1A1 (0.52) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4039378 0.85 MMP1 (0.52) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4041974 0.79 GAA (0.51) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4041721 0.79 GAA (0.51) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4034808 0.79 GAA (0.51) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4033586 0.79 ALDH1A1 (0.55) GAAALDH1A1
SCHEMBL4036877 0.79 ALDH1A1 (0.52) GAAALDH1A1
SCHEMBL4035716 0.78 ALDH1A1 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4036675 0.77 ALDH1A1 (0.51) GAAALDH1A1
SCHEMBL4036852 0.77 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13

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