SCHEMBL7465361

SCHEMBL7465361

O=[N+]([O-])c1cc2c(N3CCNCC3c3ccccn3)ncnc2cc1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 8/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR7 P34969 1/20 0.35
IP6K1 Q92551 1/20 0.35

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
SCHEMBL7469954 0.88 PDGFRB (0.44) MAPTACHEBACE1ALDH1A1GAA
SCHEMBL7470741 0.84 MAPT (0.42) MAPTACHEBACE1ALDH1A1GAA
SCHEMBL7473072 0.83 MAPT (0.39) MAPTACHEBACE1ALDH1A1GAA
SCHEMBL7460778 0.83 ACHE (0.51) MAPTACHEBACE1ALDH1A1ATM
SCHEMBL7465661 0.81 ACHE (0.45) MAPTACHEBACE1ALDH1A1GAA
SCHEMBL27911852 0.77 HTT (0.47) ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL7464038 0.77 ACHE (0.55) MAPTACHEBACE1ALDH1A1LMNA
SCHEMBL7475891 0.74 ACHE (0.54) MAPTACHEBACE1ALDH1A1LMNA
SCHEMBL7469778 0.73 MAPT (0.45) MAPTACHEBACE1ALDH1A1GAA
SCHEMBL7476091 0.73 ACHE (0.54) MAPTACHEBACE1ALDH1A1LMNA

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