SCHEMBL7464822

SCHEMBL7464822

COc1ccccc1CCNc1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
MAPK1 P28482 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
HTR6 P50406 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 3/20 0.42
BRD4 O60885 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
STAT3 P40763 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
SCHEMBL7466276 0.92 MAPK1 (0.56) ACHEBACE1MAPK1ABCG2NPSR1
SCHEMBL7468426 0.87 WDR5 (0.42) MAPK1HTR6NPSR1POLBMAPT
SCHEMBL7474960 0.87 MAPT (0.43) MAPK1HTR6NPSR1POLBMAPT
SCHEMBL7469504 0.87 SMN1; SMN2 (0.59) ACHEBACE1MAPK1ABCG2POLB
SCHEMBL7466158 0.85 HTR6 (0.55) MAPK1HTR6NPSR1MAPTEGFR
SCHEMBL7471138 0.85 MAPT (0.45) MAPK1HTR6POLBMAPTPIK3CA
SCHEMBL7467721 0.85 MEN1 (0.45) ACHEBACE1MAPK1HTR6MAPT
SCHEMBL7467406 0.83 MAPT (0.44) MAPK1HTR6NPSR1POLBMAPT
SCHEMBL7469830 0.83 HTR6 (0.44) ACHEBACE1MAPK1HTR6NPSR1
SCHEMBL7471400 0.83 MAPT (0.42) HTR6NPSR1POLBMAPTEGFR

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed