SCHEMBL8229564

SCHEMBL8229564

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(F)c4)n4nccc4n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.43
CACNA1H O95180 5/20 0.43
CACNA1I Q9P0X4 5/20 0.43
MMP13 P45452 5/20 0.40
PDGFRA P16234 1/20 0.39
MET P08581 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
SCD O00767 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 2/20 0.37
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10162842 0.93 MMP13 (0.41) CACNA1GCACNA1HCACNA1IMMP13ADAMTS4
SCHEMBL8228615 0.93 MMP13 (0.50) CACNA1GCACNA1HCACNA1IMMP13ADAMTS4
SCHEMBL8226242 0.93 MAPK1 (0.41) CACNA1GCACNA1HCACNA1IMMP13ADAMTS4
SCHEMBL8225958 0.92 TP53 (0.44) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162857 0.92 MMP13 (0.39) CACNA1GCACNA1HCACNA1IMMP13PDGFRA
SCHEMBL10162855 0.92 MMP13 (0.39) CACNA1GCACNA1HCACNA1IMMP13PDGFRA
SCHEMBL10210496 0.91 MMP13 (0.43) CACNA1GCACNA1HCACNA1IMMP13ADAMTS4
SCHEMBL10208196 0.91 MMP13 (0.38) CACNA1GCACNA1HCACNA1IMMP13PDGFRA
SCHEMBL8228662 0.91 MMP13 (0.39) CACNA1GCACNA1HCACNA1IMMP13PDGFRA
SCHEMBL8229567 0.91 ROCK2 (0.42) MMP13ADAMTS4MMP3MMP8MMP12

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
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed