SCHEMBL21295729

SCHEMBL21295729

[c]1ccc2ccsc2c1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.42
ADORA2A P29274 3/20 0.42
KDM4E B2RXH2 7/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
TP53 P04637 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL21295733 0.75 KRAS (0.40) ADORA1ADORA2AKDM4ELMNACCR1
SCHEMBL21295867 0.75 MAPT (0.35) ADORA1ADORA2AMAPT
SCHEMBL7265635 0.73 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12987544 0.72 ADORA1 (0.48) ADORA1ADORA2AKDM4ELMNACCR1
SCHEMBL21295881 0.72 MAPK14 (0.36) KDM4ELMNAPOLBSMN1; SMN2NPC1
SCHEMBL21295704 0.72 ADORA1 (0.42) ADORA1ADORA2AKDM4ELMNACCR1
SCHEMBL21296168 0.71 CYP2A6 (0.45) KDM4ECYP1A2MAPK1NPC1RAB9A
SCHEMBL1033552 0.69 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21295964 0.69 TP53 (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28581303 0.69 ADORA1 (0.42) ADORA1ADORA2AKDM4ELMNACCR1

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