SCHEMBL7459092

SCHEMBL7459092

O=[N+]([O-])c1cc2c(NCC(c3ccccc3)c3ccccc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 6/20 0.41
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPK1 P28482 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
SCHEMBL7468297 0.92 SMN1; SMN2 (0.44) HTR6SMN1; SMN2HPGDMAPTWDR5
SCHEMBL7468826 0.87 EGFR (0.56) HTR6SMN1; SMN2HPGDMAPTEGFR
SCHEMBL7469830 0.86 HTR6 (0.44) HTR6SMN1; SMN2MAPTWDR5KMT2A
SCHEMBL7475690 0.86 SMN1; SMN2 (0.44) HTR6SMN1; SMN2HPGDMAPTWDR5
SCHEMBL7458939 0.86 SMN1; SMN2 (0.44) HTR6SMN1; SMN2HPGDMAPTWDR5
SCHEMBL7466158 0.85 HTR6 (0.55) HTR6SMN1; SMN2HPGDMAPTEGFR
SCHEMBL7470206 0.84 EGFR (0.52) HTR6SMN1; SMN2HPGDMAPTEGFR
SCHEMBL7470628 0.84 HTR6 (0.48) HTR6MAPTEGFRLMNAALDH1A1
SCHEMBL7468704 0.83 SMN1; SMN2 (0.42) HTR6SMN1; SMN2HPGDMAPTWDR5
SCHEMBL7469783 0.83 ALDH1A1 (0.48) HTR6HPGDMAPTWDR5KMT2A

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