SCHEMBL21295937

SCHEMBL21295937

[c]1c(-c2ccccn2)sc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 1/20 0.47
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 4/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45

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
SCHEMBL21300515 0.68 KDM4E (0.41) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL21295613 0.67 KDM4E (0.50) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL27702558 0.66 KDM4E (0.88) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL5922 0.66 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL29351528 0.66 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL3711450 0.66 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL29907716 0.66 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL3069800 0.65 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL16026844 0.63 KDM4E (0.93) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL11800041 0.63 KDM4E (0.93) KDM4ENPC1RAB9AMAPTGLA

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