SCHEMBL18518166

SCHEMBL18518166

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RAC2 P15153 1/20 0.30
▸ RAC3 P60763 1/20 0.30
▸ CDC42 P60953 1/20 0.30
▸ RAC1 P63000 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
SCHEMBL18518811 0.97 KDM4E (0.31) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL25765720 0.94 ATM (0.34) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL18518840 0.93 PTGER4 (0.34) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL18518942 0.93 MET (0.32) —
SCHEMBL18518939 0.92 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL25965793 0.92 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL18518933 0.92 KDM4E (0.30) KDM4EATML3MBTL1
SCHEMBL18518923 0.92 KDM4E (0.30) KDM4EATML3MBTL1
SCHEMBL31633 0.92 ATM (0.37) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL24840465 0.91 ABCG2 (0.30) —

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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