SCHEMBL11027809

SCHEMBL11027809

CN(C)c1ccc(Cc2ccc(N(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 1/20 0.53
PTGS2 P35354 7/20 0.51
ACHE P22303 5/20 0.48
BCHE P06276 2/20 0.47
SNCA P37840 1/20 0.46
BACE1 P56817 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDC25C P30307 1/20 0.41
GRK6 P43250 1/20 0.41

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
SCHEMBL8744275 0.86 MAPT (0.56) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL29559399 0.86 MAPT (0.56) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL22897768 0.83 MAPT (0.53) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL11622694 0.82 MAPT (0.51) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL31016517 0.81 MAPT (0.52) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL31361989 0.81 MAPT (0.72) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL2038302 0.78 MAPT (0.73) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL3878871 0.76 MAPT (0.61) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL11353420 0.76 MAPT (0.61) MAPTNPSR1PTGS2ACHEBCHE
SCHEMBL976044 0.76 MAPT (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058332-B1 PROCESS FOR THE MANUFACTURE OF ACRIDINE DYES BAYER AG (DE) 1985-01-02 EP disclosed
EP-0058332-A1 Process for the manufacture of acridine dyes BAYER AG (DE) 1982-08-25 EP disclosed