SCHEMBL21295833

SCHEMBL21295833

[c]1cc2sccc2cc1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
KDM4E B2RXH2 8/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TP53 P04637 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL21295891 0.88 KDM4E (0.38) CTNNB1WNT3AKDM4ECCR1CCR5
SCHEMBL21295630 0.76 CTNNB1 (0.36) CTNNB1WNT3AKDM4ELMNASMN1; SMN2
SCHEMBL21300585 0.73 DYRK1A (0.36) CTNNB1WNT3AKDM4ELMNAPOLB
Dipyridyl SCHEMBL28706825 0.72 KDM4E (0.54) CTNNB1WNT3AKDM4ECCR1CCR5
SCHEMBL28570307 0.72 GABRA1 (0.44) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21296035 0.72 CYP2A6 (0.45) KDM4ECYP1A2NPC1RAB9AALDH1A1
SCHEMBL15617222 0.70 KDM4E (0.45) CTNNB1WNT3AKDM4ECCR1CCR5
SCHEMBL21295979 0.70 KDM4E (0.38) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21295720 0.70 KDM4E (0.38) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL28577018 0.70 PIK3CD (0.40) CTNNB1WNT3AKDM4ECCR1CCR5

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