SCHEMBL7469830

SCHEMBL7469830

O=[N+]([O-])c1cc2c(NCCNc3ccccc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.44
EGFR P00533 6/20 0.42
MAPT P10636 7/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
WDR5 P61964 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 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 0.90 HTR6 (0.55) HTR6EGFRMAPTLMNAALDH1A1
SCHEMBL7470628 0.88 HTR6 (0.48) HTR6EGFRMAPTLMNAALDH1A1
SCHEMBL7468826 0.88 EGFR (0.56) HTR6EGFRMAPTLMNAGAA
SCHEMBL7474960 0.87 MAPT (0.43) HTR6EGFRMAPTLMNAGAA
SCHEMBL7467064 0.87 HTR6 (0.52) HTR6EGFRMAPTLMNAGAA
SCHEMBL7459092 0.86 HTR6 (0.42) HTR6EGFRMAPTLMNAGAA
SCHEMBL7467406 0.85 MAPT (0.44) HTR6EGFRMAPTLMNAGAA
SCHEMBL7471400 0.85 MAPT (0.42) HTR6EGFRMAPTLMNAGAA
SCHEMBL7468426 0.85 WDR5 (0.42) HTR6EGFRMAPTLMNAALDH1A1
SCHEMBL7470206 0.84 EGFR (0.52) HTR6EGFRMAPTLMNAGAA

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