SCHEMBL4715735

SCHEMBL4715735

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(CC(=O)NCCN4CCOCC4)cc3)ncn2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.62
▸ POLB P06746 2/20 0.56
▸ MMP10 P09238 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5616146 0.90 MMP13 (0.63) MMP13POLBMMP10MMP9MMP8
SCHEMBL4719854 0.85 MMP13 (0.68) MMP13MMP10MMP9MMP8KMT2A
SCHEMBL4715755 0.82 MMP13 (0.67) MMP13POLBMMP10MMP9MMP8
SCHEMBL4716774 0.81 MMP13 (0.68) MMP13MMP10MMP9MMP8LMNA
SCHEMBL4717829 0.81 CD274 (0.57) MMP13ALDH1A1
SCHEMBL4718606 0.80 MMP13 (0.63) MMP13MMP10MMP9MMP8HSD17B10
SCHEMBL29838134 0.79 MMP13 (1.00) MMP13POLBMMP10MMP9MMP8
SCHEMBL8358823 0.79 MMP13 (1.00) MMP13POLBMMP10MMP9MMP8
SCHEMBL8335071 0.78 MMP13 (0.69) MMP13MMP10MMP9MMP8KMT2A
SCHEMBL4716624 0.78 MMP13 (0.66) MMP13POLBMMP10MMP9MMP8

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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