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SCHEMBL22011972

SCHEMBL22011972

CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc8n9-c8ccc(-c9ccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc(-c%13ccc%14c(c%13)oc%13ccccc%13%14)cc%12)ccc%11%10)cc9)cc8)ccc76)c5)c4)c3cc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ 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
SCHEMBL15946283 0.92 PLA2G2A (0.32) —
SCHEMBL19830306 0.92 PGR (0.32) —
SCHEMBL19830624 0.92 PGR (0.32) —
SCHEMBL15946297 0.92 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL14822509 0.92 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL26510345 0.92 PGR (0.31) —
SCHEMBL20321655 0.91 MAOA (0.32) KDM4EATML3MBTL1
SCHEMBL18861893 0.91 PLA2G2A (0.32) —
SCHEMBL19830704 0.91 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL16545788 0.91 PRKDC (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 — — EP disclosed
EP-3877373-B1 5,6-DIPHENYL-5,6-DIHYDRO-DIBENZ[C,E][1,2]AZAPHOSPHORINE AND 6-PHENYL-6H-DIBENZO[C,E][1,2]THIAZINE-5,5-DIOXIDE DERIVATIVES AND RELATED COMPOUNDS AS ORGANIC ELECTROLUMINESCENT MATERIALS FOR OLEDS MERCK PATENT GMBH (DE) 2023-01-11 — — EP disclosed
WO-2020193447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-01 — — WO disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — WO disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 — — WO disclosed