SCHEMBL16675622

SCHEMBL16675622

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.33
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
SCHEMBL31871 0.99 KDM4E (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL31662 0.96 KDM4E (0.35) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL31793 0.95 KDM4E (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL31697 0.95 KDM4E (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL15583007 0.94 KDM4E (0.34) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL15685716 0.94 TSPO (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL15685652 0.94 TSPO (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL31829 0.94 KDM4E (0.39) KDM4EATML3MBTL1HDAC4
SCHEMBL15752563 0.93 KDM4E (0.32) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL14960742 0.93 KDM4E (0.35) TSPOKDM4EATML3MBTL1HDAC4

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
US-20150115205-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-30 US disclosed
US-20150115205-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-30 US disclosed