SCHEMBL7470741

SCHEMBL7470741

O=[N+]([O-])c1cc2c(N3CCNCC3c3ccc(F)cc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PDE10A Q9Y233 1/20 0.35
WDR5 P61964 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL7473072 0.92 MAPT (0.39) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7465661 0.90 ACHE (0.45) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7476089 0.87 PDGFRB (0.41) MAPTLMNAACHEBACE1MAPK1
SCHEMBL7465361 0.84 MAPT (0.43) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7460778 0.83 ACHE (0.51) MAPTALDH1A1ACHEBACE1MAPK1
SCHEMBL7465618 0.81 PDGFRB (0.42) LMNAACHEBACE1CYP1A2CYP3A4
SCHEMBL7464197 0.79 SMN1; SMN2 (0.48) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7462225 0.78 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2ACHE
SCHEMBL7462862 0.77 PDGFRB (0.44) MAPTLMNAALDH1A1SMN1; SMN2ACHE
SCHEMBL7462233 0.77 ACHE (0.45) MAPTLMNAGAAALDH1A1SMN1; SMN2

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