SCHEMBL7474560

SCHEMBL7474560

COc1ccccc1C1CNCCN1c1ncnc2cc(Cl)c([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
PDE10A Q9Y233 5/20 0.44
PDGFRB P09619 4/20 0.44
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ATM Q13315 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7460778 0.89 ACHE (0.51) ACHEBACE1PDE10APDGFRBHTR2A
SCHEMBL7462862 0.85 PDGFRB (0.44) ACHEBACE1PDE10APDGFRBHTR2A
SCHEMBL7469954 0.83 PDGFRB (0.44) ACHEBACE1PDGFRBHTR2AHTR2C
SCHEMBL7476089 0.83 PDGFRB (0.41) ACHEBACE1PDE10APDGFRBCYP1A2
SCHEMBL7465618 0.82 PDGFRB (0.42) ACHEBACE1PDE10APDGFRBHTR2A
SCHEMBL7465661 0.73 ACHE (0.45) ACHEBACE1PDE10APDGFRBUSP2
SCHEMBL7473072 0.72 MAPT (0.39) ACHEBACE1PDGFRBALDH1A1CYP1A2
SCHEMBL8500247 0.72 PDE10A (0.50) ACHEBACE1PDE10APDGFRBALDH1A1
SCHEMBL7465361 0.71 MAPT (0.43) ACHEBACE1USP2ALDH1A1CYP1A2
SCHEMBL7470741 0.71 MAPT (0.42) ACHEBACE1PDE10AUSP2ALDH1A1

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