SCHEMBL14979439

SCHEMBL14979439

c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ P2RX7 Q99572 2/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 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
SCHEMBL15685739 0.96 KDM4E (0.35) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL15685744 0.94 KDM4E (0.37) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL15791055 0.94 KDM4E (0.35) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL19074802 0.93 KDM4E (0.38) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL15606614 0.93 HDAC4 (0.37) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL16631271 0.93 HDAC4 (0.37) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL22915927 0.92 KDM4E (0.34) KDM4EATML3MBTL1P2RX7
SCHEMBL19070890 0.90 KDM4E (0.37) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL19637638 0.90 KDM4E (0.34) KDM4EATML3MBTL1P2RX7HDAC4
SCHEMBL19041733 0.89 P2RX7 (0.33) P2RX7

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
WO-2013165192-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-11-07 — — WO disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 — — WO disclosed
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