SCHEMBL4374530

SCHEMBL4374530

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
HPGDS O60760 1/20 0.33
MMP8 P22894 3/20 0.33
MMP12 P39900 3/20 0.33
MMP14 P50281 3/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
PLAU P00749 1/20 0.31
HPN P05981 1/20 0.31
PTGS2 P35354 1/20 0.31
MAP4K4 O95819 2/20 0.31
BRAF P15056 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL4369622 0.93 MMP2 (0.35) MMP2MMP9HPGDSMMP1MAP4K4
SCHEMBL3871098 0.88 HPGDS (0.37) MMP2MMP9HPGDSMAP4K4F2
SCHEMBL1797052 0.88 F2 (0.37) PTGS2MAP4K4F2
SCHEMBL4377641 0.88 MMP2 (0.40) MMP2MMP9HPGDSMMP1MMP3
SCHEMBL7174227 0.86 CA2 (0.34) MMP2MMP9HPGDSMMP8MMP14
SCHEMBL4373799 0.81 MMP2 (0.38) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1800984 0.81 ADAM17 (0.40) MMP2MMP9MMP12MMP14MMP1
SCHEMBL4374166 0.79 MMP2 (0.45) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1800259 0.77 HPGDS (0.39) MMP2MMP9HPGDSMMP8MMP14
SCHEMBL4372679 0.76 MMP2 (0.47) MMP2MMP9HPGDSMMP12MMP14

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