SCHEMBL4769724

SCHEMBL4769724

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PARG Q86W56 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4769732 1.00 NCOA1 (0.44) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4771171 0.88 MAPT (0.39) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4771156 0.88 MAPT (0.39) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4763392 0.87 NCOA1 (0.44) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4763390 0.87 NCOA1 (0.44) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4763478 0.87 NCOA1 (0.42) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4763471 0.87 NCOA1 (0.42) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4769133 0.86 MAPT (0.46) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4769143 0.86 MAPT (0.46) NCOA1NCOA3MAPTSMN1; SMN2POLB
SCHEMBL4769729 0.85 NCOA1 (0.44) NCOA1NCOA3MAPTSMN1; SMN2POLB

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