SCHEMBL18518907

SCHEMBL18518907

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)c3)cc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL18518752 0.96 ATM (0.31) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18518071 0.95 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL8736145 0.95 PDK2 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18518162 0.94 PTGER4 (0.34) KDM4EATML3MBTL1
SCHEMBL18518914 0.94 — —
SCHEMBL18518232 0.94 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL21916760 0.94 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL8736967 0.94 PDK2 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8735317 0.94 PDK2 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18518722 0.93 TUBB4A (0.32) MEN1ALDH1A1KMT2AKDM4E

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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