SCHEMBL4716624

SCHEMBL4716624

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(OCC(=O)N4CCOCC4)cc3)ncn2)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.66
▸ MMP10 P09238 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ FKBP1A P62942 9/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL4719854 0.89 MMP13 (0.68) MMP13MMP10MMP9MMP8KMT2A
SCHEMBL4716774 0.85 MMP13 (0.68) MMP13MMP10MMP9MMP8SMN1; SMN2
SCHEMBL6474462 0.83 MMP13 (0.79) MMP13MMP10MMP9MMP8ALDH1A1
SCHEMBL29838134 0.80 MMP13 (1.00) MMP13MMP10MMP9MMP8SMN1; SMN2
SCHEMBL8358823 0.80 MMP13 (1.00) MMP13MMP10MMP9MMP8SMN1; SMN2
SCHEMBL4720963 0.79 MMP13 (0.72) MMP13MMP10MMP9MMP8KMT2A
SCHEMBL8331676 0.79 MMP13 (0.72) MMP13MMP10MMP9MMP8SMN1; SMN2
SCHEMBL8335071 0.79 MMP13 (0.69) MMP13MMP10MMP9MMP8KMT2A
SCHEMBL5616146 0.79 MMP13 (0.63) MMP13MMP10MMP9MMP8SMN1; SMN2
SCHEMBL4715735 0.78 MMP13 (0.62) MMP13MMP10MMP9MMP8ALDH1A1

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 3 patents. 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
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
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