SCHEMBL10604334

SCHEMBL10604334

CN(C)c1ccc([N+](=O)[O-])c(CN)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.47
PTGS2 P35354 7/20 0.46
ACHE P22303 5/20 0.43
CDC25C P30307 2/20 0.42
BCHE P06276 2/20 0.42
BACE1 P56817 1/20 0.40
PLG P00747 1/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5583243 0.83 MAPT (0.60) MAPTNPSR1PTGS2ACHECDC25C
SCHEMBL5239456 0.83 MAPT (0.42) MAPTNPSR1PTGS2CDC25CCYP3A4
SCHEMBL17919915 0.80 MAPT (0.55) MAPTNPSR1PTGS2ACHECDC25C
SCHEMBL31361989 0.78 MAPT (0.72) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL30443281 0.77 MAPT (0.66) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL719267 0.77 MAPT (0.66) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL6907821 0.77 TSHR (0.60) ACHECYP3A4TSHRTDP1
SCHEMBL10600469 0.77 MAPT (0.49) MAPTNPSR1PTGS2
SCHEMBL11027809 0.76 MAPT (0.59) MAPTNPSR1PTGS2ACHECDC25C
SCHEMBL11886403 0.75 MAPT (1.00) MAPTNPSR1PTGS2ACHEBCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133234-B1 IMIDAZOQUINAZOLIN-2-ONE COMPOUNDS PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1989-04-12 EP disclosed
US-4610987-A ANTICOAGULANT DAIICHI SEIYAKU CO., LTD. (JP) 1986-09-09 US disclosed
EP-0133234-A2 Imidazoquinazolin-2-one compounds process for their production and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1985-02-20 EP disclosed