SCHEMBL21941857

SCHEMBL21941857

c1ccc(-n2c3ccccc3c3cc4c5c6ccccc6c6ccccc6c5n(-c5nc6ccccc6nc5-c5cccc6c5oc5ccccc56)c4cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 2/20 0.31
PRKDC P78527 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 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
SCHEMBL19655281 0.88 ATM (0.38) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL19655166 0.86 KDM4E (0.35) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL21942177 0.85 ALOX5 (0.34) ATMALOX5PRKDCPIK3CDPIK3CB
SCHEMBL24596444 0.85 KDM4E (0.37) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL23874803 0.83 PRKDC (0.34) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL18868298 0.83 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL19653883 0.82 KDM4E (0.35) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL21213479 0.80 ALOX5 (0.38) KDM4EATMALOX5PRKDCPIK3CD
SCHEMBL23026790 0.80 ALOX5 (0.34) ATMALOX5PRKDCPIK3CDPIK3CB
SCHEMBL19655343 0.80 KDM4E (0.37) KDM4EATML3MBTL1ALOX5PRKDC

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-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed