SCHEMBL8229798

SCHEMBL8229798

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccncn4)n4ncc(F)c4n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP3 P08254 1/20 0.41
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGDS O60760 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
NAMPT P43490 4/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8226281 0.92 MMP13 (0.42) MMP13ADAMTS4MMP3ALDH1A1HPGD
SCHEMBL8226356 0.90 MMP13 (0.40) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL8226375 0.90 HSD17B10 (0.45) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL10163484 0.90 MMP13 (0.43) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL8226605 0.90 MMP13 (0.43) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL8225565 0.88 TP53 (0.43) MMP13ADAMTS4MMP3KMT2AMAPT
SCHEMBL8221168 0.88 MMP13 (0.43) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL8226363 0.88 MMP13 (0.41) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL8229794 0.88 MMP13 (0.43) MMP13ADAMTS4MMP3KDM4EALDH1A1
SCHEMBL8225294 0.88 ADAMTS4 (0.38) MMP13ADAMTS4MMP3KDM4EALDH1A1

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