SCHEMBL18518922

SCHEMBL18518922

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cc(-c6ccccc6)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3cc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29306723 0.98 PDE10A (0.33) PDE10AKDM4EATML3MBTL1
SCHEMBL15030676 0.98 KDM4E (0.33) PDE10AKDM4EATML3MBTL1
SCHEMBL24217389 0.97 PDE10A (0.34) PDE10AKDM4EATML3MBTL1
SCHEMBL25965920 0.96 PDE10A (0.33) PDE10AKDM4EATML3MBTL1
SCHEMBL17754482 0.96 KDM4E (0.34) PDE10AKDM4EATML3MBTL1
SCHEMBL25765708 0.96 PDE10A (0.34) PDE10AKDM4EATML3MBTL1
SCHEMBL18518071 0.95 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL21916760 0.94 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL18518752 0.94 ATM (0.31) KDM4EATML3MBTL1
SCHEMBL18505405 0.94 KDM4E (0.34) PDE10AKDM4EATML3MBTL1

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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