SCHEMBL4033832

SCHEMBL4033832

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.49
MMP3 P08254 16/20 0.49
MMP9 P14780 15/20 0.49
MMP13 P45452 15/20 0.49
MMP7 P09237 14/20 0.49

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 0.94 MMP1 (0.50) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4035407 0.90 MMP1 (0.51) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4039378 0.89 MMP1 (0.52) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4032496 0.86 ALDH1A1 (0.51) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4042256 0.85 POLB (0.46) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4036877 0.84 ALDH1A1 (0.52)
SCHEMBL4033586 0.83 ALDH1A1 (0.55)
SCHEMBL4035716 0.82 ALDH1A1 (0.46) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4038132 0.82 MMP1 (0.44) MMP1MMP3MMP9MMP13MMP7
SCHEMBL4035740 0.81 ALDH1A1 (0.51)

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