SCHEMBL7462233

SCHEMBL7462233

O=C(c1ccc(F)cc1N1CCN(c2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1)c1ccc(F)cc1N1CCN(c2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 3/20 0.41
PDGFRB P09619 8/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL7475891 0.88 ACHE (0.54) ACHEBACE1MAPTLMNAALDH1A1
SCHEMBL7468815 0.87 ACHE (0.51) ACHEBACE1MAPTALDH1A1PDGFRB
SCHEMBL7462225 0.85 MAPT (0.55) ACHEBACE1MAPTLMNAALDH1A1
SCHEMBL7464197 0.82 SMN1; SMN2 (0.48) ACHEBACE1MAPTLMNAGAA
SCHEMBL7464038 0.80 ACHE (0.55) ACHEBACE1MAPTLMNAALDH1A1
SCHEMBL7475884 0.79 ALDH1A1 (0.54) ACHEBACE1MAPTLMNAALDH1A1
SCHEMBL7470741 0.77 MAPT (0.42) ACHEBACE1MAPTLMNAGAA
SCHEMBL7476091 0.76 ACHE (0.54) ACHEBACE1MAPTLMNAALDH1A1
SCHEMBL7468805 0.76 ALDH1A1 (0.54) ACHEBACE1MAPTGAAALDH1A1
SCHEMBL7469219 0.76 ACHE (0.41) ACHEBACE1MAPTLMNAALDH1A1

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