SCHEMBL21573689

SCHEMBL21573689

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc5c(cc34)oc3cc(-c4ccc6c7ccccc7n(-c7ccccc7)c6c4)ccc35)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKDC P78527 2/20 0.35
ALOX5 P09917 2/20 0.34
MAPT P10636 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL22329804 0.97 KDM4E (0.38) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL20754121 0.97 KDM4E (0.38) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL23948002 0.96 ALOX5 (0.39) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL23947998 0.95 ALOX5 (0.37) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL23947794 0.95 ALOX5 (0.37) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL23947568 0.95 ALOX5 (0.38) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL22330237 0.95 KDM4E (0.37) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL23947512 0.94 ALOX5 (0.36) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL27444121 0.94 ALOX5 (0.38) KDM4EATML3MBTL1PRKDCALOX5
SCHEMBL22257961 0.94 PRKDC (0.36) KDM4EATML3MBTL1PRKDCALOX5

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
EP-3569603-A1 POLYCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING THE POLYCYCLIC COMPOUND Idemitsu Kosan Co., Ltd. (JP) 2019-11-20 EP disclosed