SCHEMBL13614293

SCHEMBL13614293

COC(CNC(=O)[C@@H](Cc1cn([C@@H]2CCOc3cc(C=O)ccc32)nn1)NS(=O)(=O)c1ccc(C)cc1)OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.32
AIMP2 Q13155 2/20 0.32
F2 P00734 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BDKRB1 P46663 1/20 0.32
PSMB8 P28062 2/20 0.31
PSMB5 P28074 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MMP9 P14780 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
SCHEMBL4344712 0.89 TDP1 (0.39) NPY5RAIMP2MEN1KMT2ABDKRB1
SCHEMBL4344707 0.89 TDP1 (0.39) NPY5RAIMP2MEN1KMT2ABDKRB1
SCHEMBL5002032 0.88 AIMP2 (0.35) AIMP2F2MEN1KMT2ABDKRB1
SCHEMBL5002026 0.88 AIMP2 (0.35) AIMP2F2MEN1KMT2ABDKRB1
SCHEMBL5107016 0.80 TDP1 (0.42) AIMP2MEN1KMT2AITGB3ITGA2B
SCHEMBL5001780 0.76 BDKRB1 (0.45) NPY5RBDKRB1ITGB3ITGA2BMMP9
SCHEMBL5001778 0.76 BDKRB1 (0.45) NPY5RBDKRB1ITGB3ITGA2BMMP9
SCHEMBL5001845 0.76 BDKRB1 (0.41) AIMP2MEN1KMT2ABDKRB1SMN1; SMN2
SCHEMBL5001844 0.76 BDKRB1 (0.41) AIMP2MEN1KMT2ABDKRB1SMN1; SMN2
SCHEMBL4331450 0.75 MMP9 (0.41) F2ITGB3ITGA2BMMP9

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
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed