SCHEMBL8076601

SCHEMBL8076601

Cc1cc(-c2nnn(C[C@H]3CC[C@H](CS(C)(=O)=O)CC3)n2)cc(C(=O)NCc2cccc(O)c2)n1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.80
MMP3 P08254 2/20 0.67

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
SCHEMBL27792521 1.00 MMP13 (0.80) MMP13MMP3
SCHEMBL8066201 0.92 MMP13 (0.73) MMP13MMP3
SCHEMBL27813831 0.92 MMP13 (0.73) MMP13MMP3
SCHEMBL8066180 0.90 MMP13 (0.86) MMP13MMP3
SCHEMBL3808565 0.89 MMP13 (0.85) MMP13MMP3
SCHEMBL3808563 0.89 MMP13 (0.85) MMP13MMP3
SCHEMBL8066107 0.89 MMP13 (1.00) MMP13
SCHEMBL3649617 0.89 MMP13 (1.00) MMP13
SCHEMBL8071164 0.89 MMP13 (0.74) MMP13MMP3
SCHEMBL8066153 0.85 MMP13 (0.83) 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