SCHEMBL2009591

SCHEMBL2009591

CC(C)COC(=O)N1CCC(CNc2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL2009590 0.85 IDO1 (0.52) CYP2C9MEN1KMT2AJAK2IDO1
SCHEMBL13834484 0.85 IDO1 (0.52) CYP2C9MEN1KMT2AJAK2IDO1
SCHEMBL12075943 0.84 MAPT (0.45) GRIN2BJAK2JAK1HTTGAA
SCHEMBL13834569 0.83 MEN1 (0.45) CYP2D6CYP2C9CYP3A4MEN1KMT2A
SCHEMBL2014265 0.83 MEN1 (0.45) CYP2D6CYP2C9CYP3A4MEN1KMT2A
SCHEMBL12076105 0.82 MAPT (0.43) GRIN2BCYP2C9JAK2JAK1HTT
SCHEMBL4718908 0.79 KDM4E (0.48) GRIN2BCYP2D6CYP2C9CYP3A4IDO1
SCHEMBL927695 0.74 MEN1 (0.58) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL4140026 0.73 MAPT (0.59) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL5758851 0.72 MEN1 (0.48) MEN1KMT2AHTTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO disclosed