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Sugi Predict / Compounds / SCHEMBL16613725

SCHEMBL16613725

SCHEMBL16613725

c1ccc(-n2ccc3nc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5c4sc4ccccc45)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ PRKDC P78527 2/20 0.32
▸ ADK P55263 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ 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
SCHEMBL16613732 0.91 ADK (0.30) ADK
SCHEMBL16613295 0.84 ADK (0.37) ALOX5PRKDCADKPIK3CDPIK3CB
SCHEMBL16613734 0.84 KDM4E (0.36) KDM4EATML3MBTL1MAPT
SCHEMBL16613736 0.84 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL16613573 0.82 KDM4E (0.35) KDM4EATML3MBTL1MAPT
SCHEMBL16613603 0.82 KDM4E (0.36) KDM4EATML3MBTL1MAPT
SCHEMBL16613321 0.80 ALOX5 (0.33) ALOX5PRKDCADKPIK3CDPIK3CB
SCHEMBL16613259 0.80 ADK (0.31) ADK
SCHEMBL16613276 0.79 ADK (0.31) ADK
SCHEMBL16613598 0.79 — —

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 — — WO disclosed