SCHEMBL8055428

SCHEMBL8055428

Cc1cc(-c2nnn(CC3CCN(S(C)(=O)=O)CC3)n2)cc(C(=O)NCc2cccc(OCCO)c2)n1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.86
MMP3 P08254 2/20 0.70

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
SCHEMBL8073428 0.94 MMP13 (0.86) MMP13MMP3
SCHEMBL8076009 0.93 MMP13 (1.00) MMP13MMP3
SCHEMBL8071164 0.91 MMP13 (0.74) MMP13MMP3
SCHEMBL8057088 0.90 MMP13 (0.87) MMP13MMP3
SCHEMBL8059359 0.89 MMP13 (0.87) MMP13MMP3
SCHEMBL8073650 0.87 MMP13 (0.86) MMP13MMP3
SCHEMBL8070831 0.86 MMP13 (0.83) MMP13MMP3
SCHEMBL3688969 0.84 MMP13 (0.84) MMP13MMP3
SCHEMBL8071745 0.84 MMP13 (0.84) MMP13MMP3
SCHEMBL3688965 0.84 MMP13 (0.84) MMP13MMP3

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