SCHEMBL22140823

SCHEMBL22140823

Brc1cccc2sc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7ccccc7)c6)ccc54)cc3c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ PTPN1 P18031 2/20 0.32
▸ LIMK1 P53667 1/20 0.31
▸ PIM3 Q86V86 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
SCHEMBL23559227 0.96 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL17253020 0.91 ATM (0.43) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL18910376 0.90 KDM4E (0.37) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL20832528 0.90 L3MBTL1 (0.34) KDM4EATML3MBTL1PTPN1LIMK1
SCHEMBL18850225 0.89 — —
SCHEMBL9890615 0.89 KDM4E (0.40) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL26787423 0.88 KDM4E (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL26787533 0.88 KDM4E (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL17248412 0.87 KDM4E (0.39) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL17166753 0.87 KDM4E (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021037401-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-04 — — WO disclosed
WO-2020127165-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-25 — — WO disclosed
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