SCHEMBL25964853

SCHEMBL25964853

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL25964841 1.00 ALOX5 (0.35) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL22050479 0.94 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL19769875 0.94 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL16810978 0.94 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL25964850 0.94 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL25964838 0.94 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL22049410 0.94 ALOX5 (0.34) ALOX5KDM4EMAPTTSHRALDH1A1
SCHEMBL16810895 0.94 MAPT (0.33) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL19769872 0.94 KDM4E (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL18562337 0.93 KDM4E (0.33) KDM4EATML3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed