SCHEMBL4771159

SCHEMBL4771159

CCCn1c(/C=C/c2cnn(C)c2)c([N+](=O)[O-])c(=O)n(CCOC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDE4A P27815 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
MITF O75030 1/20 0.34
PARG Q86W56 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4769139 0.96 MAPT (0.42) NCOA1NCOA3PDE4AADORA2AADORA2B
SCHEMBL4769729 0.94 NCOA1 (0.44) NCOA1NCOA3PDE4AADORA2AADORA2B
SCHEMBL4762507 0.89 MAPT (0.40) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4762500 0.89 MAPT (0.40) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4771168 0.87 NCOA1 (0.41) NCOA1NCOA3PDE4AADORA2AADORA2B
SCHEMBL4763390 0.87 NCOA1 (0.44) NCOA1NCOA3PDE4AADORA2APDE4B
SCHEMBL4763392 0.87 NCOA1 (0.44) NCOA1NCOA3PDE4AADORA2APDE4B
SCHEMBL4765287 0.86 ADORA2A (0.42) NCOA1NCOA3PDE4AADORA2AADORA2B
SCHEMBL4771171 0.83 MAPT (0.39) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4771156 0.83 MAPT (0.39) 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