SCHEMBL21735191

SCHEMBL21735191

C1=CCC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.33
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
SCHEMBL21583503 0.94 HDAC4 (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL25570683 0.92 KDM4E (0.33) KDM4EATML3MBTL1HDAC4
SCHEMBL26752933 0.91
SCHEMBL17621796 0.90
SCHEMBL16901341 0.89 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL25480356 0.88
SCHEMBL27264550 0.87 KDM4E (0.34) KDM4EATML3MBTL1HDAC4
SCHEMBL25719517 0.87 TSPO (0.30) HDAC4
SCHEMBL25946589 0.86 HDAC4 (0.38) KDM4EATML3MBTL1HDAC4
SCHEMBL18389632 0.86 HDAC4 (0.31) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020036375-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-20 WO disclosed