SCHEMBL7465661

SCHEMBL7465661

COc1ccc(C2CNCCN2c2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NCF1 P14598 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 4/20 0.37
PDGFRB P09619 2/20 0.37
RAB9A P51151 1/20 0.37
HTR6 P50406 1/20 0.36
GFER P55789 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
SCHEMBL7470741 0.90 MAPT (0.42) ACHEBACE1USP2CYP1A2CYP3A4
SCHEMBL7473072 0.89 MAPT (0.39) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL7462862 0.88 PDGFRB (0.44) ACHEBACE1USP2CYP1A2CYP3A4
SCHEMBL7460778 0.85 ACHE (0.51) ACHEBACE1USP2CYP1A2CYP3A4
SCHEMBL7465361 0.81 MAPT (0.43) ACHEBACE1USP2CYP1A2CYP3A4
SCHEMBL7468805 0.78 ALDH1A1 (0.54) ACHEBACE1ALDH1A1MAPTGAA
SCHEMBL7465618 0.78 PDGFRB (0.42) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL7468815 0.77 ACHE (0.51) ACHEBACE1USP2CYP1A2CYP3A4
SCHEMBL7476089 0.77 PDGFRB (0.41) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL7459198 0.75 MEN1 (0.53) ALDH1A1LMNA

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