SCHEMBL7470488

SCHEMBL7470488

O=[N+]([O-])c1cc2c(NCCc3cccc(F)c3)ncnc2cc1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.44
MAPT P10636 5/20 0.43
PRKCQ Q04759 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
EGFR P00533 3/20 0.38
MET P08581 1/20 0.38
ERBB2 P04626 2/20 0.38
MAPK1 P28482 1/20 0.38
WDR5 P61964 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 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
SCHEMBL7470232 0.91 CLK4 (0.46) HTR6AURKAEGFRMET
SCHEMBL7469384 0.91 HTT (0.46) HTR6MAPTPRKCQLMNAGAA
SCHEMBL7466158 0.90 HTR6 (0.55) HTR6MAPTLMNAHTTTDP1
SCHEMBL7470023 0.90 HTR6 (0.44) HTR6MAPTLMNAHTTNTRK1
SCHEMBL7467721 0.88 MEN1 (0.45) HTR6MAPTLMNAHTTTDP1
SCHEMBL7469367 0.87 MAPT (0.44) HTR6MAPTLMNAGAAHTT
SCHEMBL7467064 0.87 HTR6 (0.52) HTR6MAPTLMNAGAAHTT
SCHEMBL7467951 0.86 MAPT (0.50) HTR6MAPTGAAHTTTDP1
SCHEMBL7473892 0.86 HTR6 (0.45) HTR6MAPTLMNAGAAHTT
SCHEMBL7466302 0.86 HTT (0.45) HTR6MAPTLMNAGAAHTT

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