SCHEMBL21297044

SCHEMBL21297044

[c]1ccccc1-c1ccc2scccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ERN1 O75460 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
ATM Q13315 1/20 0.32
LTK P29376 1/20 0.32
CDK5 Q00535 1/20 0.32
MST1R Q04912 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DPP4 P27487 1/20 0.32
PDK2 Q15119 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAOB P27338 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
SCHEMBL126938 0.79 KDM4E (0.39) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL2761711 0.78 MEN1 (0.32) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8855149 0.76 MEN1 (0.35) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL322239 0.76 MEN1 (0.35) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL21295790 0.74 PTGS2 (0.36)
SCHEMBL995326 0.73 LTA4H (0.55) LTA4HKDM4EALDH1A1MEN1USP2
Hydrogen Sulfide SCHEMBL752785 0.71 LTA4H (0.53) LTA4HKDM4EALDH1A1MEN1USP2
SCHEMBL21295778 0.70 LTA4H (0.39) LTA4HKDM4EALDH1A1ERN1MEN1
SCHEMBL6661757 0.70 LTA4H (0.39) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL275868 0.70

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
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