SCHEMBL4372216

SCHEMBL4372216

COCCN/C(=N/C#N)N(O)C(=O)[C@@H](CCCCN)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.37
MMP9 P14780 2/20 0.37
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
SCN9A Q15858 1/20 0.36
NPC1 O15118 1/20 0.35
ADAMTS4 O75173 1/20 0.34
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAMTS1 Q9UHI8 1/20 0.34
ADAMTS7 Q9UKP4 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CACNA1H O95180 2/20 0.33
CACNA1B Q00975 2/20 0.33
RAB9A P51151 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MMP13 P45452 2/20 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
SCHEMBL4371607 0.93 MMP2 (0.44) MMP2MMP9ITGB3ITGA2BMMP13
SCHEMBL4373799 0.92 MMP2 (0.38) MMP2MMP9ITGB3ITGA2BSCN9A
SCHEMBL4372240 0.88 MMP2 (0.41) MMP2MMP9SCN9AMMP1MMP13
SCHEMBL4374166 0.85 MMP2 (0.45) MMP2MMP9ITGB3ITGA2BADAMTS4
SCHEMBL4369622 0.82 MMP2 (0.35) MMP2MMP9ITGB3ITGA2BSCN9A
SCHEMBL4369114 0.78 MMP2 (0.40) MMP2MMP9MMP1ALDH1A1MMP13
SCHEMBL3869082 0.78 MMP2 (0.42) MMP2MMP9SCN9AMMP1ADAM17
SCHEMBL4371577 0.78 MMP2 (0.37) MMP2MMP9MMP1MMP13MMP8
SCHEMBL4374349 0.78 MMP2 (0.46) MMP2MMP9ITGB3ITGA2BADAMTS4
SCHEMBL1800964 0.78 ADAM17 (0.47) MMP2MMP9ADAMTS4MMP1ADAM17

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed