SCHEMBL21862873

SCHEMBL21862873

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4ccc6ccccc6c4n5-c4ccccc4)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL24992305 0.93 KDM4E (0.34) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24992232 0.92 KDM4E (0.34) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24992314 0.92 KDM4E (0.34) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24992304 0.92 KDM4E (0.38) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24992882 0.91 KDM4E (0.34) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24992315 0.91 MAPT (0.34) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24361799 0.91 MET (0.35) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL21862638 0.91 ATM (0.37) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL16997176 0.90 KDM4E (0.36) MAPTKDM4EATML3MBTL1SMN1; SMN2
SCHEMBL24992883 0.90 MAPT (0.34) MAPTKDM4EATML3MBTL1SMN1; SMN2

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
US-20200111967-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-04-09 US disclosed