SCHEMBL8226602

SCHEMBL8226602

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)n4ncc(F)c4n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
ADRB2 P07550 1/20 0.42
PDE2A O00408 1/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 4/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GAA P10253 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL10163503 0.95 MMP13 (0.42) MMP13ADAMTS4MMP3ADRB2PDE2A
SCHEMBL8229799 0.94 ROCK2 (0.44) MMP13ADAMTS4MMP3MAPK1ROCK2
SCHEMBL8225565 0.90 TP53 (0.43) MMP13ADAMTS4MMP3SMN1; SMN2KMT2A
SCHEMBL8226631 0.90 MMP13 (0.40) MMP13ADAMTS4MMP3ALDH1A1HPGD
SCHEMBL10163504 0.90 MMP13 (0.40) MMP13ADAMTS4MMP3ALDH1A1HPGD
SCHEMBL8222865 0.89 MMP13 (0.44) MMP13ADAMTS4MMP3ALDH1A1HPGD
SCHEMBL8228853 0.89 ADAMTS4 (0.40) MMP13ADAMTS4MMP3ALDH1A1HPGD
SCHEMBL10163488 0.89 MMP13 (0.44) MMP13ADAMTS4MMP3ALDH1A1HPGD
SCHEMBL10163453 0.89 L3MBTL1 (0.45) MMP13ADAMTS4MMP3ALDH1A1SMN1; SMN2
SCHEMBL10163496 0.89 ADAMTS4 (0.43) MMP13ADAMTS4MMP3MAPK1LMNA

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