SCHEMBL7473072

SCHEMBL7473072

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
HTR6 P50406 2/20 0.37
WDR5 P61964 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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 0.92 MAPT (0.42) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7465618 0.89 PDGFRB (0.42) LMNAACHEBACE1HTR6CYP1A2
SCHEMBL7465661 0.89 ACHE (0.45) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7465361 0.83 MAPT (0.43) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7476089 0.83 PDGFRB (0.41) MAPTLMNAACHEBACE1MAPK1
SCHEMBL7460778 0.81 ACHE (0.51) MAPTALDH1A1ACHEBACE1NCF1
SCHEMBL7462862 0.80 PDGFRB (0.44) MAPTLMNAALDH1A1SMN1; SMN2ACHE
SCHEMBL7469954 0.74 PDGFRB (0.44) MAPTLMNAGAAALDH1A1ACHE
SCHEMBL7465445 0.74 HTR6 (0.55) HTR6WDR5KMT2AMAPK1HTT
SCHEMBL7464038 0.74 ACHE (0.55) MAPTLMNAALDH1A1SMN1; SMN2ACHE

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