SCHEMBL7475565

SCHEMBL7475565

O=[N+]([O-])c1cc2c(NCc3ccco3)ncnc2cc1N1CCCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 8/20 0.53
GAA P10253 4/20 0.53
HTR6 P50406 2/20 0.53
MAPK1 P28482 4/20 0.46
LMNA P02545 9/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.46
NOD2 Q9HC29 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL7468278 0.97 ALDH1A1 (0.56) ALDH1A1MAPTGAAHTR6MAPK1
SCHEMBL7464189 0.86 MAPT (0.56) ALDH1A1MAPTGAAHTR6MAPK1
SCHEMBL7470206 0.86 EGFR (0.52) ALDH1A1MAPTGAAHTR6LMNA
SCHEMBL7468292 0.85 LMNA (0.46) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL7473662 0.83 USP10 (0.47) ALDH1A1MAPTGAAHTR6LMNA
SCHEMBL7468826 0.82 EGFR (0.56) ALDH1A1MAPTGAAHTR6MAPK1
SCHEMBL7467064 0.81 HTR6 (0.52) ALDH1A1MAPTGAAHTR6MAPK1
SCHEMBL7465985 0.81 PDE5A (0.55) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL7475796 0.81 LMNA (0.49) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL7476400 0.80 MAPT (0.41) ALDH1A1MAPTGAAHTR6MAPK1

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