SCHEMBL21296091

SCHEMBL21296091

[c]1ccc2c(c1)oc1c(-c3ccccn3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ALOX5 P09917 2/20 0.37
CYP1A2 P05177 3/20 0.35
LMNA P02545 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL28568955 0.89 KDM4E (0.38) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL29496934 0.84 ALOX5 (0.50) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL483218 0.84 ALOX5 (0.50) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL28567091 0.83 KDM4E (0.38) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL483866 0.82 ALOX5 (0.49) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL30531494 0.82 ALOX5 (0.49) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL24523701 0.80 KDM4E (0.50) KDM4ETP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL28588278 0.80 ALOX5 (0.46) KDM4ETP53SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL21295971 0.79 ALOX5 (0.40) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL15696745 0.78 KDM4E (0.40) 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