SCHEMBL21295752

SCHEMBL21295752

[c]1c(-c2ccncc2)ccc2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
PGAM1 P18669 1/20 0.36
MAOA P21397 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
ATAD2 Q6PL18 1/20 0.36
NOTUM Q6P988 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
SCHEMBL2593632 0.86 HPGD (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21295934 0.83 ALDH1A1 (0.43) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL21295731 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17289259 0.76 SMN1; SMN2 (0.37) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11610539 0.74 HPGD (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1884953 0.73 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL16892805 0.73 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15900454 0.72 HPGD (0.37) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21296090 0.72 KDM4E (0.43) MAPK14CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL21300530 0.72 MAPT (0.40) MAPK14CYP11B1CYP11B2KDM4EALDH1A1

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