SCHEMBL4765619

SCHEMBL4765619

CCCCn1c(C=Cc2cnn(C)c2)c([N+](=O)[O-])c(=O)n(CC(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
MITF O75030 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PARG Q86W56 3/20 0.33
LMNA P02545 1/20 0.32
TNF P01375 1/20 0.31

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
SCHEMBL4765603 1.00 NCOA1 (0.41) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4763392 0.93 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4763390 0.93 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4766095 0.92 MAPT (0.39) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4766101 0.92 MAPT (0.39) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4769729 0.87 NCOA1 (0.44) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4769599 0.86 NCOA1 (0.39) NCOA1NCOA3MAPTPOLBSMN1; SMN2
SCHEMBL4769586 0.86 NCOA1 (0.39) 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