SCHEMBL15426624

SCHEMBL15426624

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3cc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16978543 0.96 RAC2 (0.32) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL783565 0.94 MAPT (0.34) KDM4EL3MBTL1ATMMAPTMAPK1
SCHEMBL17904180 0.93 KDM4E (0.34) KDM4EL3MBTL1ATMMAPTMAPK1
SCHEMBL15606733 0.93 KDM4E (0.34) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL15806102 0.92 KDM4E (0.35) KDM4EL3MBTL1ATM
SCHEMBL15832139 0.92 KDM4E (0.35) KDM4EL3MBTL1ATM
SCHEMBL16978556 0.92 KDM4E (0.35) KDM4EL3MBTL1ATM
SCHEMBL16689524 0.92 KDM4E (0.33) RAC2RAC3CDC42RAC1KDM4E
SCHEMBL16978573 0.92 MAPT (0.33) KDM4EL3MBTL1ATMMAPTMAPK1
SCHEMBL16978582 0.92 MAPT (0.33) KDM4EL3MBTL1ATMMAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9385335-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-07-05 — — US disclosed
US-9385335-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-07-05 — — US disclosed
US-20140014940-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-01-16 — — US disclosed
US-20140014940-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-01-16 — — US disclosed
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