SCHEMBL8225294

SCHEMBL8225294

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccncn4)n4nccc4n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 5/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
ALOX15 P16050 3/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL8225360 0.91 LMNA (0.41) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8225381 0.89 HPGD (0.49) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL10162893 0.89 MMP13 (0.40) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8219951 0.89 PIK3CA (0.42) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8219979 0.89 PIK3CA (0.43) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8229798 0.88 MMP13 (0.41) ADAMTS4MMP3MMP13HPGDKDM4E
SCHEMBL10162873 0.87 TP53 (0.44) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162840 0.87 L3MBTL1 (0.48) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8225302 0.86 HPGD (0.40) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8225958 0.86 TP53 (0.44) ADAMTS4MMP3MMP8MMP12MMP13

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