SCHEMBL16613295

SCHEMBL16613295

c1ccc(-n2ccc3c(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5ccccc54)nc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.37
PARP14 Q460N5 1/20 0.34
PRKDC P78527 2/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 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
SCHEMBL16613688 0.92 ALOX5 (0.35) ADKPRKDCALOX5KDM4EATM
SCHEMBL16613363 0.91 ADK (0.34) ADKPARP14PRKDC
SCHEMBL16613582 0.91 ADK (0.34) ADKPARP14PRKDC
SCHEMBL16613725 0.84 ALOX5 (0.33) ADKPARP14PRKDCALOX5KDM4E
SCHEMBL16613290 0.83 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL16613367 0.82 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL16613312 0.81 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL16613311 0.81 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL16613321 0.79 ALOX5 (0.33) ADKPARP14PRKDCALOX5KDM4E
SCHEMBL16613259 0.79 ADK (0.31) ADK

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