SCHEMBL4575928

SCHEMBL4575928

CC(NC(=O)C(N)=O)c1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.73
PDE2A O00408 2/20 0.51
F7 P08709 2/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
UGT2B7 P16662 1/20 0.50
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HCRTR1 O43613 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.47
HPGDS O60760 1/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL21473009 0.86 MMP9 (0.75) MMP9PDE2AF7F2F10
SCHEMBL30544977 0.82 MMP9 (0.69) MMP9PDE2AUGT2B7METAP2METAP1
SCHEMBL14986294 0.82 MMP9 (0.69) MMP9PDE2AUGT2B7METAP2METAP1
SCHEMBL7734521 0.82 MMP9 (0.69) MMP9PDE2AUGT2B7METAP2METAP1
SCHEMBL28057828 0.81 MMP9 (0.59) MMP9PDE2AF7F2F10
SCHEMBL28057829 0.81 MMP9 (0.59) MMP9PDE2AF7F2F10
SCHEMBL6627298 0.80 MMP9 (0.66) MMP9PDE2AF7F2F10
SCHEMBL30796069 0.80 MMP9 (0.66) MMP9PDE2AF7F2F10
SCHEMBL9686076 0.79 MMP9 (0.75) MMP9PDE2AF7F2F10
SCHEMBL1321496 0.79 MMP9 (0.66) MMP9PDE2AF7F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed