SCHEMBL21296090

SCHEMBL21296090

[c]1cc2c(cc1-c1ccncc1)oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 1/20 0.43
AHR P35869 2/20 0.40
MAPT P10636 8/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK14 Q16539 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
MAOA P21397 2/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
PGAM1 P18669 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL21300530 0.88 MAPT (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL21295677 0.78 NPC1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL21295786 0.74 MAPT (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL21295782 0.73 MAPK14 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL23331530 0.72 NPC1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL23331505 0.72 NPC1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL21295752 0.72 MAPK14 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL21295837 0.70 AHR (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL11754531 0.70 AHR (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL21295951 0.70 GPR3 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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