SCHEMBL27149229

SCHEMBL27149229

c1cnc2nc(-c3cccc4ccccc34)c(-c3cccc4ccccc34)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
BCHE P06276 2/20 0.42
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TGFBR1 P36897 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
HTR2C P28335 3/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL20062477 0.84 PTPRC (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3255665 0.83 BCHE (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL13916714 0.75 MAPK14 (0.45) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20062488 0.75 IDO1 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27630511 0.75 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20062502 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20062490 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20062481 0.74 IDO1 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20062493 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20062478 0.74 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043018-A1 ORGANIC EL ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE 東レ株式会社 2024-02-29 WO disclosed
WO-2023058644-A1 COMPOUND, ORGANIC EL ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE 東レ株式会社 2023-04-13 WO disclosed
WO-2022181197-A1 ORGANIC EL ELEMENT MATERIAL, ORGANIC EL ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2022-09-01 WO disclosed