SCHEMBL4766095

SCHEMBL4766095

CC(C)Cn1c(/C=C/c2cnn(C)c2)c([N+](=O)[O-])c(=O)n(CC(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MITF O75030 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PARG Q86W56 2/20 0.35
LMNA P02545 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CFTR P13569 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4766101 1.00 MAPT (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4765603 0.92 NCOA1 (0.41) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4765619 0.92 NCOA1 (0.41) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4768028 0.90 MAPK1 (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4768016 0.90 MAPK1 (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4768024 0.89 MITF (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4762306 0.86 MAPT (0.42) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4762304 0.86 MAPT (0.42) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4768010 0.86 MITF (0.36) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4763390 0.83 NCOA1 (0.44) MAPTSMN1; SMN2POLBMEN1KMT2A

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