SCHEMBL21295829

SCHEMBL21295829

Cc1[c]ccc2oc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
MAOA P21397 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
GAA P10253 2/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
AHR P35869 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL21295865 0.76 PGR (0.40) KDM4EALDH1A1HPGDMAOAMAPT
SCHEMBL997082 0.74 MAPT (0.39) KDM4EALDH1A1HPGDMAOAMAPT
SCHEMBL29036489 0.73 HPGD (0.38) KDM4EALDH1A1HPGDMAOAMAPT
SCHEMBL1635475 0.71 MAOA (0.59) KDM4EALDH1A1HPGDMAOAMAPT
SCHEMBL4961160 0.71 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAOAMAPT
SCHEMBL6307222 0.70 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAOAMAPT
Dibenzofuran SCHEMBL29635704 0.68 MAPT (0.68) KDM4EALDH1A1HPGDMAOAMAPT
Dibenzofuran SCHEMBL9868133 0.68 MAPT (0.68) KDM4EALDH1A1HPGDMAOAMAPT
Dibenzofuran SCHEMBL8207 0.68 MAPT (0.68) KDM4EALDH1A1HPGDMAOAMAPT
SCHEMBL12880852 0.68 KDM4E (0.47) KDM4EALDH1A1HPGDMAOAMAPT

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