SCHEMBL7102983

SCHEMBL7102983

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCc3ccc(OCC(=O)O)cc3)ccc21.Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCc3ccc(OCC(=O)O)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
PPARG P37231 4/20 0.53
MAPT P10636 5/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
HDAC1 Q13547 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7102887 1.00 MMP13 (0.54) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL7624409 0.91 MAPT (0.51) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL6246256 0.90 MAPT (0.58) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL6517292 0.90 MAPT (0.59) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL7095851 0.88 MMP13 (0.65) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL6532934 0.87 PPARG (0.56) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL7100567 0.87 MMP13 (0.56) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL6234634 0.86 MMP13 (0.58) MMP13PPARGMAPTKDM4EPOLB
SCHEMBL7102986 0.85 MMP13 (0.48) MMP13SLC22A8PPARGMAPTKDM4E
SCHEMBL7097679 0.85 MMP13 (0.60) MMP13SLC22A8PPARGMAPTKDM4E

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