SCHEMBL18518985

SCHEMBL18518985

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4-c4ccccc4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.33
▸ HDAC4 P56524 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL18518713 0.95 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL18518984 0.95 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL18518721 0.94 KDM4E (0.36) TSPOHDAC4KDM4EATML3MBTL1
SCHEMBL18518998 0.93 KDM4E (0.37) TSPOKDM4EATML3MBTL1
SCHEMBL18518719 0.91 PGR (0.31) KDM4EATML3MBTL1
SCHEMBL22078820 0.91 KDM4E (0.34) TSPOHDAC4KDM4EATML3MBTL1
SCHEMBL14822239 0.91 KDM4E (0.37) TSPOHDAC4KDM4EATML3MBTL1
SCHEMBL15946302 0.91 KDM4E (0.39) TSPOHDAC4KDM4EATML3MBTL1
SCHEMBL14822532 0.91 KDM4E (0.39) TSPOHDAC4KDM4EATML3MBTL1
SCHEMBL15946296 0.91 KDM4E (0.39) TSPOHDAC4KDM4EATML3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335254-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-04-08 — — EP disclosed
WO-2017025164-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-16 — — WO disclosed
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