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SCHEMBL17033859

SCHEMBL17033859

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6c7cc8c9ccccc9c9ccccc9n8c7ccc65)cc4)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HDAC4 P56524 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL17033797 0.95 ATM (0.41) KDM4EATML3MBTL1HDAC4NR3C1
SCHEMBL17033807 0.94 ATM (0.41) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL17033780 0.92 KDM4E (0.38) KDM4EATML3MBTL1KMT2ARXFP1
SCHEMBL17033809 0.90 KDM4E (0.31) KDM4EATML3MBTL1TSPO
SCHEMBL17033794 0.90 KDM4E (0.40) KDM4EATML3MBTL1KMT2ARXFP1
SCHEMBL20413127 0.88 KDM4E (0.41) KDM4EATML3MBTL1HDAC4NR3C1
SCHEMBL17033574 0.88 KDM4E (0.35) KDM4EATML3MBTL1HDAC4NR3C1
SCHEMBL17033865 0.87 MEN1 (0.33) KDM4EATML3MBTL1TSPOKMT2A
SCHEMBL21347419 0.87 KDM4E (0.44) KDM4EATML3MBTL1NR3C1KMT2A
SCHEMBL21365696 0.87 KDM4E (0.44) KDM4EATML3MBTL1NR3C1KMT2A

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed