SCHEMBL7468426

SCHEMBL7468426

O=[N+]([O-])c1cc2c(NCCc3ccccc3Cl)ncnc2cc1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 4/20 0.41
EGFR P00533 2/20 0.41
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCQ Q04759 1/20 0.39
CYP1A2 P05177 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
PIK3CA P42336 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL7474960 0.90 MAPT (0.43) WDR5KMT2AHTR6EGFRMAPK1
SCHEMBL7466158 0.88 HTR6 (0.55) HTR6EGFRMAPK1ALDH1A1LMNA
SCHEMBL7464822 0.87 ACHE (0.46) KMT2AHTR6EGFRMAPK1ALDH1A1
SCHEMBL7471116 0.86 HTT (0.52) WDR5KMT2AHTR6MAPT
SCHEMBL7470023 0.85 HTR6 (0.44) WDR5KMT2AHTR6MAPK1LMNA
SCHEMBL7467406 0.85 MAPT (0.44) WDR5KMT2AHTR6EGFRMAPK1
SCHEMBL7469830 0.85 HTR6 (0.44) WDR5KMT2AHTR6EGFRMAPK1
SCHEMBL7471400 0.85 MAPT (0.42) WDR5KMT2AHTR6EGFRALDH1A1
SCHEMBL7467064 0.84 HTR6 (0.52) HTR6EGFRMAPK1ALDH1A1LMNA
SCHEMBL7470628 0.84 HTR6 (0.48) HTR6EGFRMAPK1ALDH1A1LMNA

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