SCHEMBL28115649

SCHEMBL28115649

COc1cc2cc(Cn3ccnc3C)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
WDR5 P61964 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16549379 0.74 CYP19A1 (0.55) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL28115606 0.74 KAT7 (0.43) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL28116041 0.74 CYP19A1 (0.43) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL16549380 0.73 KDM4E (0.39) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL15929449 0.73 ALDH1A1 (0.51) KCNH2KMT2AMEN1ALDH1A1LMNA
SCHEMBL16549374 0.72 PDE1A (0.46) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL4854789 0.71 KCNH2 (0.48) KCNH2LMNAL3MBTL1F2
SCHEMBL28115650 0.71 MAPK1 (0.42) KCNH2KMT2AHPGDMEN1ALDH1A1
SCHEMBL16549386 0.70 MEN1 (0.37) KMT2AMEN1POLBGAA
SCHEMBL30844372 0.69 ALDH1A1 (0.48) KCNH2KMT2AALDH1A1LMNAL3MBTL1

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