SCHEMBL21300517

SCHEMBL21300517

[c]1ccccc1-c1cc2ccccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.45
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BTK Q06187 1/20 0.42
CYP2A6 P11509 1/20 0.42
PDPK1 O15530 1/20 0.42
GRM4 Q14833 7/20 0.42
MIF P14174 1/20 0.37
NPY5R Q15761 1/20 0.36
PLAU P00749 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL715462 0.85 GRM4 (0.42) NPC1RAB9ACYP1A2KDM4ETDP1
SCHEMBL5470573 0.77 NPC1 (0.63) NPC1RAB9ACYP1A2KDM4ETDP1
SCHEMBL3146084 0.73 KDM4E (0.41) NPC1RAB9ACYP1A2KDM4ETDP1
SCHEMBL21296137 0.72 NPC1 (0.59) NPC1RAB9ACYP1A2KDM4ETDP1
SCHEMBL28271036 0.71 NPC1 (0.74) NPC1RAB9ACYP1A2KDM4ETDP1
SCHEMBL713066 0.70 NPC1 (0.47) NPC1RAB9ACYP1A2KDM4EL3MBTL1
SCHEMBL714399 0.70 CCR1 (0.54) NPC1RAB9ACYP1A2KDM4ECYP2A6
SCHEMBL28477929 0.70 TDP1 (0.30) TDP1
SCHEMBL28688434 0.70 MEN1 (0.33) NPC1RAB9A
SCHEMBL29838915 0.70 NPC1 (0.67) NPC1RAB9ACYP1A2KDM4ETDP1

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 6 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
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed