SCHEMBL18518996

SCHEMBL18518996

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cccc5ccccc45)c3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGER4 P35408 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 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
SCHEMBL19653513 0.92 KDM4E (0.36) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL10001468 0.92 KDM4E (0.36) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL18518196 0.92 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL18518169 0.91 KDM4E (0.38) KDM4EATML3MBTL1PTGER4
SCHEMBL18519179 0.90 KDM4E (0.38) KDM4EATML3MBTL1PTGER4
SCHEMBL10001493 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL15946303 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL29694589 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL19653174 0.89 KDM4E (0.32) KDM4EATML3MBTL1MAPT
SCHEMBL19652849 0.89 KDM4E (0.32) KDM4EATML3MBTL1MAPT

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
EP-3335254-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-04-08 — — EP disclosed
WO-2017025164-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-16 — — WO disclosed
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