SCHEMBL17468667

SCHEMBL17468667

C1=CCC(n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc32)C=C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC4 P56524 1/20 0.35
▸ TSPO P30536 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ KMT2A Q03164 1/20 0.30
▸ IL1R1 P14778 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL23729281 0.99 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL26266124 0.99 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL14959666 0.99 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL23676692 0.96 KDM4E (0.39) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL25810908 0.96 KDM4E (0.39) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL14405264 0.95 L3MBTL1 (0.41) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL26193716 0.95 KDM4E (0.41) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL25719327 0.94 KDM4E (0.37) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL23863452 0.93 KDM4E (0.39) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL14959661 0.93 KDM4E (0.35) KDM4EATML3MBTL1

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-2016013867-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 — — WO disclosed
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