SCHEMBL4767908

SCHEMBL4767908

COc1ccc(Cn2c(/C=C/c3cnn(C)c3)c([N+](=O)[O-])c(=O)n(C(F)c3ccccc3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE1C Q14123 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NPY1R P25929 1/20 0.34
HTT P42858 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
SCHEMBL4767913 1.00 MAPT (0.43) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4767864 0.91 MAPT (0.40) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4767868 0.91 MAPT (0.40) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4762387 0.88 ALDH1A1 (0.38) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4762384 0.88 ALDH1A1 (0.38) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4763446 0.87 MAPT (0.52) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4763451 0.87 MAPT (0.52) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4769240 0.86 NPBWR1 (0.40) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4769244 0.86 NPBWR1 (0.40) MAPTALDH1A1MAPK1PDE1APDE1B
SCHEMBL4762428 0.85 MAPT (0.39) MAPTALDH1A1MAPK1SMN1; 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