SCHEMBL8225568

SCHEMBL8225568

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cccc(F)c4)n4ncc(F)c4n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP3 P08254 1/20 0.43
ROCK2 O75116 2/20 0.40
TP53 P04637 4/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
RET P07949 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 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
SCHEMBL10163488 0.94 MMP13 (0.44) MMP13ADAMTS4MMP3TP53POLB
SCHEMBL10163455 0.93 POLB (0.45) MMP13ADAMTS4MMP3TP53ADORA3
SCHEMBL8225565 0.93 TP53 (0.43) MMP13ADAMTS4MMP3TP53POLB
SCHEMBL10163509 0.92 MMP13 (0.41) MMP13ADAMTS4MMP3ROCK2TP53
SCHEMBL8226089 0.91 MMP13 (0.41) MMP13ADAMTS4MMP3ROCK2TP53
SCHEMBL10210575 0.91 ADAMTS4 (0.41) MMP13ADAMTS4MMP3ROCK2TP53
SCHEMBL8221168 0.91 MMP13 (0.43) MMP13ADAMTS4MMP3ADORA2AADORA1
SCHEMBL8226363 0.91 MMP13 (0.41) MMP13ADAMTS4MMP3TP53POLB
SCHEMBL10163453 0.90 L3MBTL1 (0.45) MMP13ADAMTS4MMP3TP53POLB
SCHEMBL10163514 0.90 MMP13 (0.41) MMP13ADAMTS4MMP3ROCK2TP53

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