SCHEMBL4769729

SCHEMBL4769729

CCCCn1c(=O)c([N+](=O)[O-])c(/C=C/c2cnn(C)c2)n(CCOC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.35
PDE4A P27815 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PARG Q86W56 3/20 0.33
MITF O75030 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4771159 0.94 NCOA1 (0.41) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4769139 0.94 MAPT (0.42) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4763392 0.93 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4763390 0.93 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4771168 0.90 NCOA1 (0.41) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4763475 0.87 NCOA1 (0.42) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4765619 0.87 NCOA1 (0.41) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4765603 0.87 NCOA1 (0.41) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4769724 0.85 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4769732 0.85 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2

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-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed