SCHEMBL8228905

SCHEMBL8228905

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(F)cc4C(N)=O)n4nccc4n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
GPR55 Q9Y2T6 2/20 0.35
KMT2A Q03164 3/20 0.35
ROCK1 Q13464 1/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34

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
SCHEMBL10163556 0.92 L3MBTL1 (0.38) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10208198 0.91 ALDH1A1 (0.38) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10208196 0.90 MMP13 (0.38) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8228662 0.90 MMP13 (0.39) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8225958 0.90 TP53 (0.44) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8226231 0.89 MMP13 (0.40) ADAMTS4MMP3MMP13TP53LMNA
SCHEMBL8229567 0.88 ROCK2 (0.42) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL8229036 0.88 KMT2A (0.40) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10208197 0.86 TP53 (0.39) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162851 0.86 MAPT (0.47) 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