SCHEMBL4373799

SCHEMBL4373799

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
MMP9 P14780 3/20 0.38
SCN9A Q15858 1/20 0.35
TBXA2R P21731 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
PLAU P00749 1/20 0.34
HPN P05981 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
CA2 P00918 1/20 0.33
MMP13 P45452 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL4374166 0.93 MMP2 (0.45) MMP2MMP9MMP8MMP12MMP14
SCHEMBL4372216 0.92 MMP2 (0.37) MMP2MMP9SCN9AMMP8ITGB3
SCHEMBL4372240 0.90 MMP2 (0.41) MMP2MMP9SCN9AMMP8MMP12
SCHEMBL4371607 0.85 MMP2 (0.44) MMP2MMP9MMP8MMP12MMP14
SCHEMBL4374530 0.81 MMP2 (0.36) MMP2MMP9MMP8MMP12MMP14
SCHEMBL4369114 0.80 MMP2 (0.40) MMP2MMP9MMP12MMP14CA1
SCHEMBL3869082 0.80 MMP2 (0.42) MMP2MMP9SCN9AMMP8MMP12
SCHEMBL4371577 0.79 MMP2 (0.37) MMP2MMP9MMP8MMP12MMP14
SCHEMBL4374349 0.79 MMP2 (0.46) MMP2MMP9MMP8MMP12MMP14
SCHEMBL4374481 0.79 MMP2 (0.50) MMP2MMP9MMP12MMP14ITGB3

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 disclosed