SCHEMBL6505994

SCHEMBL6505994

COC(=O)C(=Cc1cnccc1O[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.32
NAMPT P43490 2/20 0.32
MAPT P10636 5/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LATS1 O95835 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
CYP17A1 P05093 2/20 0.31
ATR Q13535 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4890326 0.84 MAPT (0.43) RAB9ALMNANAMPTMAPTNPSR1
SCHEMBL8274206 0.84 MAPT (0.43) RAB9ALMNANAMPTMAPTNPSR1
SCHEMBL4890329 0.84 MAPT (0.43) RAB9ALMNANAMPTMAPTNPSR1
SCHEMBL4064721 0.80 NAMPT (0.39) RAB9ANAMPTCYP17A1ATR
SCHEMBL4069107 0.80 NAMPT (0.39) RAB9ANAMPTCYP17A1ATR
SCHEMBL31178934 0.79 HASPIN (0.37) RAB9ALMNAMAPTNPSR1LATS1
SCHEMBL14602205 0.74 MAPT (0.62) RAB9ALMNAMAPTNPSR1SMN1; SMN2
SCHEMBL13878881 0.74 MAPT (0.62) RAB9ALMNAMAPTNPSR1SMN1; SMN2
SCHEMBL22031438 0.72 LATS1 (0.35) RAB9ALMNANAMPTMAPTLATS1
SCHEMBL29671146 0.72 LATS1 (0.35) RAB9ALMNANAMPTMAPTLATS1

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
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed