SCHEMBL8072435

SCHEMBL8072435

Cc1nc(C(=O)NCc2ccc(F)c(OCCO)c2)cc(-c2ncn(CC3CCC(NS(C)(=O)=O)CC3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.49
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL8066709 1.00 MMP13 (0.49) MMP13SLC22A8
SCHEMBL8067107 0.93 MMP13 (0.53) MMP13
SCHEMBL8065810 0.90 MMP13 (0.50) MMP13
SCHEMBL8076870 0.89 MMP13 (0.61) MMP13SLC22A8
SCHEMBL3814405 0.89 MMP13 (0.41) MMP13SLC22A8
SCHEMBL3814401 0.89 MMP13 (0.41) MMP13SLC22A8
SCHEMBL8072927 0.87 MMP13 (0.49) MMP13
SCHEMBL3808479 0.84 MMP13 (0.56) MMP13SLC22A8
SCHEMBL3808476 0.84 MMP13 (0.56) MMP13SLC22A8
SCHEMBL8071946 0.84 MMP13 (0.55) 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