SCHEMBL21709110

SCHEMBL21709110

c1ccc(-n2c3c4ccccc4c(-c4cc5c6c7ccccc7c7ccccc7c6n(-c6ccccc6)c5c5ccccc45)cc3c3c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 2/20 0.35
KDR P35968 1/20 0.34
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 2/20 0.32
HTT P42858 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16999512 0.87 ALDH1A1 (0.45) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL23348259 0.84 KDM4E (0.42) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL18667696 0.79 HPRT1 (0.43) MAPK1L3MBTL1KDM4EATMALDH1A1
SCHEMBL16999544 0.77 L3MBTL1 (0.39) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL12249843 0.77 L3MBTL1 (0.59) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL18435750 0.76 L3MBTL1 (0.63) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL19382733 0.75 KDM4E (0.57) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL20311878 0.75 KDM4E (0.36) MAPK1L3MBTL1KDM4EATMMAPT
SCHEMBL16999506 0.75 ALDH1A1 (0.42) MAPK1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL16999520 0.74 ALDH1A1 (0.39) MAPK1L3MBTL1KDM4EMAPTKMT2A

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
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed