SCHEMBL16488116

SCHEMBL16488116

COc1cc(O)cc2nc(-c3cccc(C)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
IDO1 P14902 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4D Q08499 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL16488117 0.88 ESR1 (0.46) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13870910 0.85 KDM4E (0.59) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14500792 0.83 KDM4E (0.59) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL16488115 0.83 ESR1 (0.47) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL16487805 0.82 SMN1; SMN2 (0.46) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13870933 0.80 ALDH1A1 (0.48) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13870921 0.77 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL13870820 0.76 KDM4E (0.49) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8261896 0.75 SMN1; SMN2 (0.72) TDO2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13870924 0.74 SMN1; SMN2 (0.66) TDO2SMN1; SMN2KDM4EALDH1A1HPGD

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
US-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed