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Sugi Predict / Compounds / SCHEMBL19001827

SCHEMBL19001827

SCHEMBL19001827

c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDK2 Q15119 3/20 0.34
▸ TSPO P30536 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL18457468 0.97 L3MBTL1 (0.40) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL21104419 0.95 KDM4E (0.37) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL15213654 0.95 KDM4E (0.42) KDM4EATML3MBTL1TSPOKMT2A
SCHEMBL25941077 0.94 KDM4E (0.38) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL16810649 0.94 KDM4E (0.41) KDM4EATML3MBTL1KMT2A
SCHEMBL19530819 0.94 KDM4E (0.41) KDM4EATML3MBTL1TSPOKMT2A
SCHEMBL18457743 0.92 TSPO (0.36) KDM4EATML3MBTL1PDK2TSPO
SCHEMBL19001840 0.92 PDK2 (0.39) KDM4EATML3MBTL1PDK2KMT2A
SCHEMBL19001823 0.92 L3MBTL1 (0.39) KDM4EATML3MBTL1TSPOKMT2A
SCHEMBL16810747 0.91 TSPO (0.35) KDM4EATML3MBTL1PDK2TSPO

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-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 — — EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed