SCHEMBL4372240

SCHEMBL4372240

N#C/N=C(\NO)N(O)C(=O)[C@@H](CCCCN)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 13/20 0.37
MMP1 P03956 11/20 0.37
SCN9A Q15858 1/20 0.37
MMP3 P08254 2/20 0.35
MMP7 P09237 1/20 0.35
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL4373799 0.90 MMP2 (0.38) MMP2MMP9MMP13MMP1SCN9A
SCHEMBL4372216 0.88 MMP2 (0.37) MMP2MMP9MMP13MMP1SCN9A
SCHEMBL3869082 0.88 MMP2 (0.42) MMP2MMP9MMP13MMP1SCN9A
SCHEMBL4371577 0.83 MMP2 (0.37) MMP2MMP9MMP13MMP1MMP3
SCHEMBL4374349 0.83 MMP2 (0.46) MMP2MMP9MMP13MMP1MMP3
SCHEMBL4374166 0.82 MMP2 (0.45) MMP2MMP9MMP13MMP1MMP3
SCHEMBL4374481 0.82 MMP2 (0.50) MMP2MMP9MMP13MMP1MMP3
SCHEMBL4371607 0.81 MMP2 (0.44) MMP2MMP9MMP13MMP3MMP7
SCHEMBL1802607 0.80 MMP2 (0.52) MMP2MMP9MMP13MMP1SCN9A
SCHEMBL4369114 0.77 MMP2 (0.40) MMP2MMP9MMP13MMP1MMP3

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