SCHEMBL8071838

SCHEMBL8071838

COc1cc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](NC(C)=O)CC4)n3)nc(C)n2)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.69
SLC22A8 Q8TCC7 1/20 0.51

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
SCHEMBL3762338 0.96 MMP13 (0.68) MMP13
SCHEMBL3766953 0.96 MMP13 (0.68) MMP13
SCHEMBL3811853 0.93 MMP13 (0.62) MMP13SLC22A8
SCHEMBL8056324 0.93 MMP13 (0.70) MMP13
SCHEMBL3811851 0.93 MMP13 (0.62) MMP13SLC22A8
SCHEMBL13150186 0.91 MMP13 (0.71) MMP13SLC22A8
SCHEMBL8067050 0.91 MMP13 (0.75) MMP13SLC22A8
SCHEMBL3805240 0.91 MMP13 (0.67) MMP13
SCHEMBL3805239 0.91 MMP13 (0.67) MMP13
SCHEMBL8071597 0.91 MMP13 (0.72) MMP13SLC22A8

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