SCHEMBL1478686

SCHEMBL1478686

c1ccc2c(c1)Cc1c(B(c3cccc4c3Cc3ccccc3-4)c3cccc4c3Cc3ccccc3-4)cccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
MAOA P21397 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 2/20 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
SCHEMBL10033961 0.84 NPC1 (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.82 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.82 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.80 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28589725 0.80 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL18343747 0.80 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL9020793 0.78 RAB9A (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL22263591 0.77 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL221398 0.74 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4022045 0.74 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7914909-B2 Organic electroluminescent device CANON KABUSHIKI KAISHA (JP) 2011-03-29 US disclosed
US-20080309228-A1 ORGANIC ELECTROLUMINESCENT DEVICE CANON KABUSHIKI KAISHA (JP) 2008-12-18 US disclosed