SCHEMBL8076870

SCHEMBL8076870

Cc1nc(C(=O)NCc2ccc(F)c(OCCO)c2)cc(-c2nnn(C[C@H]3CC[C@H](NS(C)(=O)=O)CC3)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.61
SLC22A8 Q8TCC7 1/20 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
SCHEMBL8069424 0.93 MMP13 (0.68) MMP13
SCHEMBL3811851 0.90 MMP13 (0.62) MMP13SLC22A8
SCHEMBL3811853 0.90 MMP13 (0.62) MMP13SLC22A8
SCHEMBL8070762 0.90 MMP13 (0.61) MMP13SLC22A8
SCHEMBL8072435 0.89 MMP13 (0.49) MMP13SLC22A8
SCHEMBL8066709 0.89 MMP13 (0.49) MMP13SLC22A8
SCHEMBL8072249 0.89 MMP13 (0.66) MMP13
SCHEMBL8065498 0.88 MMP13 (0.70) MMP13
SCHEMBL8065785 0.88 MMP13 (0.62) MMP13SLC22A8
SCHEMBL3803121 0.84 MMP13 (0.60) 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