SCHEMBL8226231

SCHEMBL8226231

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4C(N)=O)n4ncc(F)c4n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP3 P08254 1/20 0.40
KMT2A Q03164 4/20 0.36
TP53 P04637 4/20 0.36
GPR55 Q9Y2T6 2/20 0.36
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MET P08581 3/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
MAPK8 P45983 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10163516 0.94 MMP13 (0.41) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8221163 0.93 MMP13 (0.40) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL10210573 0.91 MMP13 (0.43) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8226626 0.91 MMP13 (0.43) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8225565 0.90 TP53 (0.43) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8228905 0.89 ADAMTS4 (0.36) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8226378 0.89 MMP13 (0.41) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8225568 0.88 MMP13 (0.43) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL10163489 0.88 MMP13 (0.41) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL10163511 0.87 TP53 (0.46) MMP13ADAMTS4MMP3KMT2ATP53

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