SCHEMBL21573733

SCHEMBL21573733

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5oc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.33
PLA2G2A P14555 3/20 0.33
PLA2G4A P47712 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PTGER4 P35408 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
HCRTR1 O43613 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
BRCA1 P38398 1/20 0.32
MAPT P10636 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
SCHEMBL26356049 0.93 KDM4E (0.42) KDM4EATML3MBTL1NPSR1PLA2G2A
SCHEMBL22257891 0.93 KDM4E (0.42) KDM4EATML3MBTL1NPSR1PLA2G2A
SCHEMBL21573684 0.93 L3MBTL1 (0.42) KDM4EATML3MBTL1NPSR1PLA2G2A
SCHEMBL22240756 0.93 KDM4E (0.42) KDM4EATML3MBTL1NPSR1PLA2G2A
SCHEMBL23947795 0.92 KDM4E (0.41) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL24264430 0.92 KDM4E (0.41) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL23947525 0.92 KDM4E (0.41) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL23947797 0.92 KDM4E (0.41) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL24264029 0.92 KDM4E (0.41) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL23947527 0.92 KDM4E (0.41) KDM4EATML3MBTL1PLA2G2APLA2G4A

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