SCHEMBL7476091

SCHEMBL7476091

O=[N+]([O-])c1cc2c(N3CCN(Cc4ccccc4)CC3)ncnc2cc1N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
BACE1 P56817 5/20 0.54
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
PDGFRB P09619 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KIT P10721 1/20 0.44
AURKA O14965 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL7464038 0.88 ACHE (0.55) ACHEBACE1LMNAMAPTPDGFRB
SCHEMBL7473621 0.84 PDGFRB (0.60) ACHEBACE1LMNAMAPTPDGFRB
SCHEMBL7475884 0.83 ALDH1A1 (0.54) ACHEBACE1LMNAMAPTPDGFRB
SCHEMBL7468677 0.83 ALDH1A1 (0.54) ACHEBACE1LMNAMAPTPDGFRB
SCHEMBL7458931 0.83 NSD2 (0.56) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL7475891 0.82 ACHE (0.54) ACHEBACE1LMNAMAPTPDGFRB
SCHEMBL9224976 0.80 PDGFRB (0.64) ACHEBACE1LMNAMAPTPDGFRB
SCHEMBL7468826 0.79 EGFR (0.56) LMNAMAPTKDM4EALDH1A1HTT
SCHEMBL7462130 0.79 MAPT (0.42) ACHEBACE1LMNAMAPTAURKA
SCHEMBL7469735 0.78 LMNA (0.47) ACHEBACE1LMNAMAPTCYP1A2

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