SCHEMBL4369622

SCHEMBL4369622

COCCN/C(=N\C#N)N(O)C(=O)[C@@H](CCCCN)NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
HPGDS O60760 1/20 0.32
SCN9A Q15858 1/20 0.32
ADAMTS4 O75173 1/20 0.31
MMP1 P03956 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAMTS1 Q9UHI8 1/20 0.31
ADAMTS7 Q9UKP4 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MLNR O43193 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7174227 0.93 CA2 (0.34) MMP2MMP9CA2CA4HPGDS
SCHEMBL4374530 0.93 MMP2 (0.36) MMP2MMP9HPGDSMMP1MAP4K4
SCHEMBL3871098 0.86 HPGDS (0.37) MMP2MMP9HPGDSMAP4K4
SCHEMBL1797052 0.86 F2 (0.37) POLBMAP4K4WNT3A
SCHEMBL4377641 0.86 MMP2 (0.40) MMP2MMP9HPGDSSCN9AMMP1
SCHEMBL4372216 0.82 MMP2 (0.37) MMP2MMP9ITGB3ITGA2BSCN9A
SCHEMBL1798434 0.81 ADAM17 (0.43) MMP2MMP9ADAMTS4MMP1ADAM17
SCHEMBL4371607 0.80 MMP2 (0.44) MMP2MMP9ITGB3ITGA2B
SCHEMBL4297273 0.78 CA2 (0.39) CA2CA4HPGDSSCN9APIK3CD
SCHEMBL4373799 0.75 MMP2 (0.38) MMP2MMP9CA2ITGB3ITGA2B

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