SCHEMBL8348338

SCHEMBL8348338

Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)o1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.78
MMP10 P09238 2/20 0.62
MMP8 P22894 2/20 0.62
MMP9 P14780 1/20 0.62
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8349714 0.89 MMP13 (0.61) MMP13MMP10MMP8MMP9ADORA2A
SCHEMBL8358823 0.89 MMP13 (1.00) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL29838134 0.89 MMP13 (1.00) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL12272887 0.85 MMP13 (0.92) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8357428 0.84 MMP13 (0.90) MMP13MMP10MMP8MMP9ALDH1A1
SCHEMBL4716566 0.84 MMP13 (0.90) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL14284143 0.84 MMP13 (0.90) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8349710 0.84 MMP13 (0.77) MMP13MMP10MMP8MMP9HPGD
SCHEMBL8360162 0.83 MMP13 (0.88) MMP13MMP10MMP8MMP9ALDH1A1
SCHEMBL8350613 0.83 MMP13 (0.88) MMP13MMP10MMP8MMP9HCRTR1

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-2004060883-A1 PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed