SCHEMBL20073137

SCHEMBL20073137

C1=CC(c2ccccc2)CC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8cccc(-c9ccccc9)c8)cc7n(-c7ccc(-c8ccccc8)cc7)c6c5)ccc43)cc2)=C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSPO P30536 1/20 0.31
PTGER4 P35408 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
SCHEMBL21667200 0.91 HDAC4 (0.38) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL26456567 0.84 HDAC4 (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL20077874 0.83 HDAC4 (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL25671837 0.81 L3MBTL1 (0.52) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL19570254 0.81 L3MBTL1 (0.52) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL25941652 0.81 L3MBTL1 (0.52) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL25941116 0.81 L3MBTL1 (0.52) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL20146443 0.81 HDAC4 (0.35) HDAC4KDM4EATML3MBTL1
SCHEMBL25949215 0.81 KDM4E (0.39) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL25104070 0.80 KDM4E (0.38) HDAC4KDM4EATML3MBTL1

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-2018070821-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-04-19 WO disclosed