SCHEMBL21454971

SCHEMBL21454971

c1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2nc3ccccc3nc2-c2cccc3c2sc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.34
PRKDC P78527 4/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PARP14 Q460N5 1/20 0.31
GSR P00390 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
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
SCHEMBL21213455 0.92 ALOX5 (0.37) KDM4EALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21716465 0.90 ALOX5 (0.33) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21716814 0.90 ALOX5 (0.33) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL24596489 0.89 KDM4E (0.37) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL21454972 0.88 KDM4E (0.36) KDM4EATML3MBTL1GSRNPC1
SCHEMBL19653884 0.88 KDM4E (0.35) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL21941859 0.87 ALOX5 (0.36) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL19655165 0.86 KDM4E (0.35) KDM4EATML3MBTL1ALOX5PRKDC
SCHEMBL21717082 0.85 GSR (0.39) ALOX5PRKDCGSR
SCHEMBL21212924 0.85 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CBPARP14

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-2019194481-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-10 WO disclosed