SCHEMBL21454964

SCHEMBL21454964

c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-n4c5ccccc5c5cc6cc7c(cc6cc54)c4ccccc4n7-c4ccccc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
PTGER4 P35408 3/20 0.39
NPY5R Q15761 3/20 0.36
GSR P00390 1/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
IL1R1 P14778 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 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
SCHEMBL21213312 0.96 L3MBTL1 (0.43) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL21716817 0.92 KDM4E (0.39) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL21716468 0.92 KDM4E (0.39) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL22425462 0.92 KDM4E (0.39) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL22425634 0.92 KDM4E (0.41) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL21212911 0.92 KDM4E (0.43) L3MBTL1KDM4EATMPTGER4GSR
SCHEMBL22425576 0.91 L3MBTL1 (0.38) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL22425216 0.90 KDM4E (0.38) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL18505341 0.90 KDM4E (0.46) L3MBTL1KDM4EATMPTGER4NPY5R
SCHEMBL22425526 0.90 KDM4E (0.39) L3MBTL1KDM4EATMPTGER4NPY5R

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