SCHEMBL5020143

SCHEMBL5020143

CC(C)OC(=O)NCc1cccc(-c2ccc(S(=O)(=O)NC(C)(C)C3CN=NN3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.39
MMP2 P08253 4/20 0.39
MMP10 P09238 4/20 0.39
MMP13 P45452 4/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 3/20 0.39
MMP9 P14780 3/20 0.39
MMP12 P39900 3/20 0.39
MMP14 P50281 3/20 0.39
ADAMTS4 O75173 3/20 0.38
NMT1 P30419 5/20 0.35
TRPA1 O75762 2/20 0.35
MME P08473 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HPGDS O60760 1/20 0.34

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
SCHEMBL5020184 0.91 BRD4 (0.43) MMP8MMP2MMP10MMP13MMP1
SCHEMBL5020180 0.90 GAA (0.43) MMP8MMP2MMP10MMP13MMP1
SCHEMBL8777638 0.78 MMP2 (0.40) MMP8MMP2MMP10MMP13MMP1
SCHEMBL6231852 0.72 AOC3 (0.57)
SCHEMBL8777624 0.68 BRD4 (0.41) MMP8MMP2MMP10MMP13MMP1
SCHEMBL5020145 0.68 NMT1 (0.37) MMP8MMP2MMP10MMP13MMP1
SCHEMBL8777128 0.68 GAA (0.45) MMP8MMP2MMP10MMP13MMP1
SCHEMBL5020142 0.67 MMP2 (0.43) MMP8MMP2MMP10MMP13MMP1
SCHEMBL4906501 0.66 PADI3 (0.38) MMP8MMP2MMP10MMP13MMP1
SCHEMBL3091364 0.66 AAK1 (0.43)

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-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed