SCHEMBL18646306

SCHEMBL18646306

c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6ccccc6O5)cc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAT2A P31153 1/20 0.36
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
POLB P06746 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL19675246 0.91 HDAC4 (0.43) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL18849330 0.78 KDM4E (0.35) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL17228128 0.77 L3MBTL1 (0.69) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL18779641 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL16491834 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL26788442 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL18042083 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL17617917 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL13309440 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL25674912 0.75 L3MBTL1 (0.67) KDM4EATML3MBTL1HDAC4MEN1

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
WO-2017043887-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2017-03-16 WO disclosed