SCHEMBL25564992

SCHEMBL25564992

C1=CCC(n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)ccc54)ccc32)C=C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSPO P30536 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ WNK1 Q9H4A3 1/20 0.31
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 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
SCHEMBL25719327 0.98 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL26193716 0.95 KDM4E (0.41) KDM4EATML3MBTL1HDAC4EDNRB
SCHEMBL23676692 0.93 KDM4E (0.39) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL25810908 0.93 KDM4E (0.39) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL24076444 0.93 — —
SCHEMBL14405264 0.92 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL17468667 0.92 KDM4E (0.43) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL23676786 0.91 KDM4E (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL23729281 0.91 L3MBTL1 (0.44) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14959666 0.91 L3MBTL1 (0.44) KDM4EATML3MBTL1TSPOHDAC4

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
EP-4186898-A1 COMPOSITION FOR ORGANIC ELECTRONIC COMPOUNDS Merck Patent GmbH (DE) 2023-05-31 — — EP disclosed
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