SCHEMBL14345596

SCHEMBL14345596

BOC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(N)=O)nn12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.57
ADAMTS4 O75173 2/20 0.57
MMP3 P08254 2/20 0.57
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
MET P08581 1/20 0.33
CHRM4 P08173 2/20 0.33
CXCR3 P49682 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL5425633 0.93 MMP13 (0.55) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10168058 0.93 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14468359 0.91 MMP13 (0.52) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14446795 0.90 MMP13 (0.54) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167293 0.89 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167869 0.88 MMP13 (0.66) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL5423763 0.87 MMP13 (0.56) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166977 0.87 MMP13 (0.59) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14446794 0.86 MMP13 (0.54) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14468358 0.86 MMP13 (0.53) MMP13ADAMTS4MMP3MMP8MMP12

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-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed