SCHEMBL7470628

SCHEMBL7470628

O=[N+]([O-])c1cc2c(NCCCc3ccccc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
EGFR P00533 3/20 0.43
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
CCNC P24863 1/20 0.41
CDKN1A P38936 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
APP P05067 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7466158 0.95 HTR6 (0.55) HTR6PIK3CDPIK3R1EGFRMAPT
SCHEMBL7467064 0.91 HTR6 (0.52) HTR6EGFRMAPTMAPK1CCNC
SCHEMBL7471389 0.91 MAPT (0.41) HTR6PIK3CDPIK3R1EGFRMAPT
SCHEMBL7468826 0.89 EGFR (0.56) HTR6EGFRMAPTMAPK1LMNA
SCHEMBL7469830 0.88 HTR6 (0.44) HTR6EGFRMAPTMAPK1LMNA
SCHEMBL7471400 0.88 MAPT (0.42) HTR6PIK3CDPIK3R1EGFRMAPT
SCHEMBL7466302 0.86 HTT (0.45) HTR6EGFRMAPTMAPK1LMNA
SCHEMBL7473892 0.86 HTR6 (0.45) HTR6MAPTMAPK1CCNCCDKN1A
SCHEMBL7469494 0.86 PDE5A (0.46) MAPTMAPK1LMNAALDH1A1
SCHEMBL7464149 0.86 HTR6 (0.44) HTR6MAPTMAPK1TP53LMNA

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