SCHEMBL7944758

SCHEMBL7944758

CN(C)c1ccc(C=O)c(C=Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.58
APP P05067 6/20 0.47
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SNCA P37840 1/20 0.44
CYP2A6 P11509 1/20 0.43
CYP2A13 Q16696 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
INSR P06213 1/20 0.41
MEN1 O00255 2/20 0.41
KLF5 Q13887 1/20 0.41

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
SCHEMBL5709308 0.83 ALDH1A1 (0.52) RELARAB9AKMT2ANPC1MAPT
SCHEMBL7944752 0.81 APP (0.65) RELAAPPRAB9AKMT2ANPC1
SCHEMBL7944755 0.81 APP (0.65) RELAAPPRAB9AKMT2ANPC1
SCHEMBL11755707 0.80 RELA (0.61) RELAAPPRAB9AKMT2ANPC1
SCHEMBL31166670 0.80 RELA (0.61) RELAAPPRAB9AKMT2ANPC1
SCHEMBL10430144 0.76 PTGS2 (0.64) RELAMAPT
SCHEMBL28000105 0.76 RELA (0.51) RELAAPPRAB9AKMT2ANPC1
SCHEMBL10430142 0.76 PTGS2 (0.64) RELAMAPT
SCHEMBL1557244 0.74 RELA (1.00) RELAAPPRAB9AKMT2ANPC1
SCHEMBL1557242 0.74 RELA (1.00) RELAAPPRAB9AKMT2ANPC1

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