SCHEMBL16631271

SCHEMBL16631271

c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ P2RX7 Q99572 2/20 0.33
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 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
SCHEMBL15606614 1.00 HDAC4 (0.37) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL15838261 0.94 L3MBTL1 (0.41) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL15685734 0.94 L3MBTL1 (0.41) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL15791570 0.94 HDAC4 (0.38) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL15583077 0.94 HDAC4 (0.38) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL20205514 0.93 KDM4E (0.38) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL14979439 0.93 KDM4E (0.35) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL15791055 0.93 KDM4E (0.35) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL15685739 0.93 KDM4E (0.35) HDAC4KDM4EATML3MBTL1P2RX7
SCHEMBL18934082 0.92 HDAC4 (0.44) HDAC4KDM4EATML3MBTL1P2RX7

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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 — — WO disclosed
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