SCHEMBL17039498

SCHEMBL17039498

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccncc5)c5ccccn45)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 4/20 0.44
▸ MAP2K3 P46734 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HIF1A Q16665 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ HTR6 P50406 3/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ NPY5R Q15761 2/20 0.34

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
SCHEMBL17039398 0.93 KDM4E (0.44) RAD51KDM4EATML3MBTL1HIF1A
SCHEMBL17039527 0.92 KDM4E (0.43) RAD51KDM4EATML3MBTL1HIF1A
SCHEMBL17039515 0.88 KDM4E (0.41) RAD51KDM4EATML3MBTL1HIF1A
SCHEMBL17039517 0.88 KDM4E (0.41) RAD51KDM4EATML3MBTL1HIF1A
SCHEMBL17039378 0.87 RAD51 (0.56) RAD51MAP2K3KDM4EHIF1AEPAS1
SCHEMBL17039512 0.86 KDM4E (0.38) RAD51KDM4EATML3MBTL1HIF1A
SCHEMBL17039520 0.84 ATM (0.40) RAD51KDM4EATML3MBTL1RORC
SCHEMBL17039385 0.83 KDM4E (0.39) KDM4EATML3MBTL1RORCPTGER4
SCHEMBL17039497 0.82 KDM4E (0.36) RAD51KDM4EATML3MBTL1RORC
SCHEMBL17039529 0.82 KDM4E (0.38) KDM4EATML3MBTL1PTGER4MAPT

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-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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