SCHEMBL21295887

SCHEMBL21295887

[c]1cccc2oc3cccc(-c4ccccn4)c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
TP53 P04637 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
RAB9A P51151 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 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
SCHEMBL28567054 0.81 KDM4E (0.38) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL30022079 0.78 KDM4E (0.45) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL483552 0.78 KDM4E (0.45) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL21295958 0.77 KDM4E (0.39) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL28914076 0.77 KDM4E (0.39) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL21295858 0.76 ALDH1A1 (0.35) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL28567091 0.75 KDM4E (0.38) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL28573310 0.75 KDM4E (0.38) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL21295819 0.75 PIK3CD (0.35) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL3708192 0.73 MAOA (0.51) KDM4ETP53SMN1; SMN2NPC1ALDH1A1

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