SCHEMBL28115606

SCHEMBL28115606

COc1cc2cc(Cn3cccn3)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 10/20 0.43
KAT6A Q92794 10/20 0.43
KAT6B Q8WYB5 8/20 0.43
PDE4B Q07343 3/20 0.43
KAT5 Q92993 4/20 0.39
KAT8 Q9H7Z6 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36

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
SCHEMBL16549380 0.77 KDM4E (0.39) KAT7KAT6AKAT6BPDE4BKAT5
SCHEMBL16549379 0.75 CYP19A1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL28115649 0.74 KCNH2 (0.41) PDE4BMAPTALDH1A1MEN1KMT2A
SCHEMBL28853149 0.73 ADRB2 (0.54) KAT7KAT6AKAT6BPDE4BMAPT
SCHEMBL16549374 0.73 PDE1A (0.46) PDE4BALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16549384 0.72 NQO2 (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL31172576 0.71 HTR2A (0.46) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL29008820 0.71 KDM4E (0.52) KAT7KAT6AKAT6BPDE4BKAT5
SCHEMBL10053919 0.71 MEN1 (0.50) KAT7KAT6AKAT6BPDE4BKAT5
SCHEMBL10066968 0.70 KMT2A (0.56) KAT7KAT6AKAT6BPDE4BKAT5

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
CN-104412985-B Apply containing luxuriant and rich with fragrance heterocycle compound and preparation method thereof and Antiphytoviral 南开大学 2016-12-28 CN disclosed