SCHEMBL7102986

SCHEMBL7102986

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCc3ccc(OC(CC(=O)O)(Oc4ccc(CNC(=O)c5ccc6c(c5)c(=O)n(Cc5ccccc5)c(=O)n6C)cc4)C(=O)O)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MAPT P10636 6/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.45
PPARG P37231 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6246256 0.86 MAPT (0.58) MMP13SLC22A8MAPTKDM4EHDAC1
SCHEMBL6517292 0.86 MAPT (0.59) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL7102887 0.85 MMP13 (0.54) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL7102983 0.85 MMP13 (0.54) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL7095851 0.84 MMP13 (0.65) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL6532934 0.83 PPARG (0.56) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL7100567 0.83 MMP13 (0.56) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL7101956 0.83 MMP13 (0.54) MMP13SLC22A8MAPTMAPK1L3MBTL1
SCHEMBL6234634 0.82 MMP13 (0.58) MMP13MAPTKDM4EHDAC1SMN1; SMN2
SCHEMBL7653589 0.81 ALDH1A1 (0.49) MMP13MAPTKDM4EHDAC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed