SCHEMBL7465618

SCHEMBL7465618

O=[N+]([O-])c1cc2c(N3CCNCC3c3ccc(Cl)cc3)ncnc2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.42
EGFR P00533 1/20 0.38
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
HTR2C P28335 3/20 0.34
PDE10A Q9Y233 2/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP2D6 P10635 1/20 0.33
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL7476089 0.94 PDGFRB (0.41) PDGFRBEGFRACHEBACE1PDE10A
SCHEMBL7462862 0.90 PDGFRB (0.44) PDGFRBEGFRACHEBACE1HTR2C
SCHEMBL7473072 0.89 MAPT (0.39) PDGFRBACHEBACE1CYP1A2LMNA
SCHEMBL7469954 0.84 PDGFRB (0.44) PDGFRBEGFRACHEBACE1HTR2C
SCHEMBL7474560 0.82 ACHE (0.47) PDGFRBACHEBACE1HTR2CPDE10A
SCHEMBL7470741 0.81 MAPT (0.42) ACHEBACE1PDE10ACYP1A2LMNA
SCHEMBL7465661 0.78 ACHE (0.45) PDGFRBACHEBACE1PDE10ACYP1A2
SCHEMBL7465361 0.72 MAPT (0.43) ACHEBACE1CYP1A2LMNACYP3A4
SCHEMBL11958684 0.70 CYP2D6 (0.42) HTR2CCYP2D6HTR2AHTR2B
SCHEMBL7460778 0.70 ACHE (0.51) PDGFRBACHEBACE1HTR2CPDE10A

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