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SCHEMBL8226609

SCHEMBL8226609

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)n4ncc(F)c4n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MAPK1 P28482 14/20 0.41
▸ RPS6KA1 Q15418 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 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
SCHEMBL10163490 0.94 MMP13 (0.42) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8226284 0.92 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8225501 0.91 MMP13 (0.48) MMP13ADAMTS4MMP3MAPTCACNA1G
SCHEMBL8225565 0.91 TP53 (0.43) MMP13ADAMTS4MMP3MAPT
SCHEMBL10163453 0.90 L3MBTL1 (0.45) MMP13ADAMTS4MMP3
SCHEMBL10163488 0.90 MMP13 (0.44) MMP13ADAMTS4MMP3MAPT
SCHEMBL10163506 0.90 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10163512 0.90 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8226605 0.90 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8226281 0.90 MMP13 (0.42) MMP13ADAMTS4MMP3MAPK1MAPT

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