SCHEMBL19051629

SCHEMBL19051629

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-n5ncc6c5ccc5c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 4/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SLC2A1 P11166 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
SCHEMBL19051641 0.93 PIK3CA (0.36) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL19051636 0.91 PIK3CA (0.35) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL15811222 0.90 KDM4E (0.38) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL19051652 0.88 NR3C1 (0.37) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL16918812 0.87 NR3C1 (0.41) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL19051646 0.85 MAPT (0.34) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL16425016 0.85 NR3C1 (0.40) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL16424989 0.85 NR3C1 (0.40) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL19051614 0.85 NR3C1 (0.37) KDM4EATML3MBTL1PTGS2MAPT
SCHEMBL19051857 0.85 RAC2 (0.40) KDM4EATML3MBTL1PTGS2MAPT

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-2017111360-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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