SCHEMBL4039378

SCHEMBL4039378

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.52
MMP13 P45452 11/20 0.52
MMP3 P08254 10/20 0.52
MMP9 P14780 10/20 0.52
MMP7 P09237 9/20 0.52
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 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
SCHEMBL4033586 0.94 ALDH1A1 (0.55) ALDH1A1GAAUSP2LMNAPOLB
SCHEMBL4036877 0.94 ALDH1A1 (0.52) ALDH1A1GAAUSP2LMNAPOLB
SCHEMBL4035716 0.92 ALDH1A1 (0.46) MMP1MMP13MMP3MMP9MMP7
SCHEMBL4035740 0.92 ALDH1A1 (0.51) ALDH1A1GAAUSP2LMNAPOLB
SCHEMBL4035627 0.89 ALDH1A1 (0.48) ALDH1A1GAAUSP2LMNAPOLB
SCHEMBL4033832 0.89 MMP1 (0.49) MMP1MMP13MMP3MMP9MMP7
SCHEMBL4034739 0.87 GAA (0.53) MMP1MMP13MMP3MMP9MMP7
SCHEMBL4042256 0.86 POLB (0.46) MMP1MMP13MMP3MMP9MMP7
SCHEMBL4037013 0.85 MMP1 (0.53) MMP1MMP13MMP3MMP9MMP7
SCHEMBL4034701 0.84 ALDH1A1 (0.49) ALDH1A1GAAUSP2

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