SCHEMBL7944752

SCHEMBL7944752

CN(C)c1ccc(/C=C/c2ccccc2C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.65
RELA Q04206 1/20 0.63
CYP2A6 P11509 1/20 0.57
CYP2A13 Q16696 1/20 0.57
SNCA P37840 2/20 0.54
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CASP1 P29466 2/20 0.50
HBB P68871 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 1/20 0.50
RAD52 P43351 1/20 0.49
MAT2A P31153 1/20 0.49
KCNH2 Q12809 1/20 0.49
HSD17B3 P37058 1/20 0.49

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
SCHEMBL7944755 1.00 APP (0.65) APPRELACYP2A6CYP2A13SNCA
SCHEMBL28347774 0.82 APP (0.65) APPRELASNCAMAOAMAOB
SCHEMBL7944758 0.81 RELA (0.58) APPRELACYP2A6CYP2A13SNCA
SCHEMBL5709304 0.81 ALDH1A1 (0.62) APPMEN1KMT2AMAPTNPC1
SCHEMBL5709303 0.81 ALDH1A1 (0.62) APPMEN1KMT2AMAPTNPC1
SCHEMBL2013090 0.81 CYP2A6 (0.86) APPRELACYP2A6CYP2A13MEN1
SCHEMBL2013092 0.81 CYP2A6 (0.86) APPRELACYP2A6CYP2A13MEN1
SCHEMBL14895393 0.80 APP (0.67) APPRELASNCAMAOAMAOB
SCHEMBL2776337 0.80 APP (0.67) APPRELASNCAMAOAMAOB
SCHEMBL2776332 0.80 APP (0.67) APPRELASNCAMAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242477-B1 RADIATING AND KILLING CANCER CELLS CANON KABUSHIKI KAISHA (JP) 2001-06-05 US disclosed
US-6124342-A RADIATION THERAPY TO INDUCE DEATH OF THE CANCER CELLS CANON KK (JP) 2000-09-26 US disclosed
EP-0659407-A1 Pharmaceutical compositions containing pyrylium compounds, pyrylium salts and process for manufacturing a medicament containing the aforesaid compounds CANON KABUSHIKI KAISHA (JP) 1995-06-28 EP disclosed