SCHEMBL4763451

SCHEMBL4763451

COc1ccc(Cn2c(C=Cc3cnn(C)c3)c([N+](=O)[O-])c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DCTPP1 Q9H773 3/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4763446 1.00 MAPT (0.52) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763895 0.93 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763887 0.93 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4767904 0.91 MAPT (0.44) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763160 0.87 PARG (0.42) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763164 0.87 PARG (0.42) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4767913 0.87 MAPT (0.43) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4767908 0.87 MAPT (0.43) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763890 0.87 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763883 0.87 MAPT (0.46) 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