SCHEMBL8065241

SCHEMBL8065241

COc1cc(CNC(=O)c2cc(-c3nnn(CC4CO[C@@H](CO)CO4)n3)nc(C)n2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 1.00
MMP3 P08254 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
SCHEMBL29416344 1.00 MMP13 (1.00) MMP13MMP3
SCHEMBL3805009 1.00 MMP13 (1.00) MMP13MMP3
SCHEMBL3644767 1.00 MMP13 (1.00) MMP13MMP3
SCHEMBL8055109 1.00 MMP13 (1.00) MMP13MMP3
SCHEMBL3805011 1.00 MMP13 (1.00) MMP13MMP3
SCHEMBL13150098 0.94 MMP13 (0.89) MMP13
SCHEMBL13150107 0.94 MMP13 (0.89) MMP13
SCHEMBL13150081 0.94 MMP13 (0.89) MMP13
SCHEMBL8069338 0.94 MMP13 (0.88) MMP13
SCHEMBL3645782 0.93 MMP13 (1.00) MMP13

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
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed