SCHEMBL21300599

SCHEMBL21300599

[c]1cc2cc(-c3ccccn3)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
TP53 P04637 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
PKM P14618 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
KLF5 Q13887 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL21295653 0.88 KDM4E (0.41) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL26260190 0.75 KDM4E (0.57) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13327726 0.74 KDM4E (0.57) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL21296084 0.74 DYRK1A (0.56) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL26260209 0.74 KDM4E (0.56) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL21295901 0.73 DYRK1A (0.54) LMNAMAPT
SCHEMBL730330 0.72 KDM4E (0.63) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL29445842 0.72 KDM4E (0.63) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL21295857 0.72 CYP11B2 (0.54) ALDH1A1CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL29062272 0.71 KDM4E (0.61) KDM4ETP53SMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed