SCHEMBL6445923

SCHEMBL6445923

NS(=O)(=O)c1ccc(N2CCN(C3(c4ccc(Oc5ccc(Br)cc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.74
MMP9 P14780 19/20 0.74
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47

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
SCHEMBL6441647 0.91 MMP2 (0.62) MMP2MMP9MMP8MMP13
SCHEMBL6441920 0.90 MMP2 (0.59) MMP2MMP9MMP8MMP13
SCHEMBL8341012 0.87 MMP2 (0.80) MMP2MMP9MMP8MMP13
SCHEMBL6794128 0.85 MMP2 (0.66) MMP2MMP9MMP8MMP13
SCHEMBL5924525 0.85 MMP2 (1.00) MMP2MMP9MMP8MMP13
SCHEMBL5924361 0.85 MMP2 (1.00) MMP2MMP9MMP8MMP13
SCHEMBL5924548 0.84 MMP2 (1.00) MMP2MMP9MMP13
SCHEMBL5924468 0.82 MMP2 (1.00) MMP2MMP9MMP8MMP13
SCHEMBL6442403 0.82 CA12 (0.51) MMP2MMP9MMP13
SCHEMBL6442959 0.82 MMP2 (0.62) MMP2MMP9MMP8MMP13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP claimed
US-6498252-B1 Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds HOFFMANN-LA ROCHE INC. 2002-12-24 US claimed
EP-1226128-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP claimed
WO-2001025217-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-12 WO claimed
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP disclosed