SCHEMBL4718422

SCHEMBL4718422

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(OC(C(N)=O)C(C)C)cc3)ncn2)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 10/20 0.69
▸ MMP10 P09238 4/20 0.56
▸ MMP8 P22894 4/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ KCNH2 Q12809 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38

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
SCHEMBL4719607 0.84 MMP13 (0.72) MMP13MMP10MMP8MMP9POLB
SCHEMBL29838134 0.83 MMP13 (1.00) MMP13MMP10MMP8MMP9POLB
SCHEMBL8358823 0.83 MMP13 (1.00) MMP13MMP10MMP8MMP9POLB
SCHEMBL8357428 0.81 MMP13 (0.90) MMP13MMP10MMP8MMP9POLB
SCHEMBL6474462 0.81 MMP13 (0.79) MMP13MMP10MMP8MMP9POLB
SCHEMBL8331676 0.81 MMP13 (0.72) MMP13MMP10MMP8MMP9POLB
SCHEMBL8360162 0.80 MMP13 (0.88) MMP13MMP10MMP8MMP9ALDH1A1
SCHEMBL14602306 0.80 MMP13 (0.75) MMP13MMP10MMP8MMP9POLB
SCHEMBL12272887 0.80 MMP13 (0.92) MMP13MMP10MMP8MMP9L3MBTL1
SCHEMBL5615854 0.79 MMP13 (0.86) MMP13MMP10MMP8MMP9ALDH1A1

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
EP-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 — — EP claimed
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