SCHEMBL21295844

SCHEMBL21295844

[c]1ccccc1-c1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
PTK2B Q14289 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NCF1 P14598 1/20 0.44
TGFBR1 P36897 3/20 0.42
MAPK14 Q16539 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
GRM4 Q14833 5/20 0.41
NFATC1 O95644 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL15511226 0.90 MAPT (0.44) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL713490 0.83 NFATC1 (0.40) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL714485 0.81 TGFBR1 (0.40) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3860212 0.79 ALDH1A1 (0.38) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL28599544 0.78 GPR3 (0.42) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL1227713 0.78 CYP1A2 (0.60) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL27917128 0.78 CYP1A2 (0.60) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL29699887 0.78 CYP1A2 (0.60) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL8096483 0.77 TGFBR1 (0.46) NPC1RAB9ATP53MAPTPTK2B
SCHEMBL30487734 0.76 CYP1A2 (0.58) NPC1RAB9ATP53MAPTPTK2B

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