SCHEMBL21295918

SCHEMBL21295918

[c]1cccc2oc3c(-c4ccncc4)cccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PRKDC P78527 3/20 0.36
PIK3CD O00329 1/20 0.36
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IMPDH2 P12268 2/20 0.33
GGPS1 O95749 1/20 0.33
CFTR P13569 2/20 0.33
POLB P06746 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL21296149 0.86 ALOX5 (0.43) ALOX5PRKDCPIK3CDHSD17B10ALDH1A1
SCHEMBL21295774 0.85 PRKDC (0.44) ALOX5PRKDCHSD17B10ALDH1A1KDM4E
SCHEMBL21295819 0.80 PIK3CD (0.35) PIK3CDHSD17B10ALDH1A1MAPK1KDM4E
SCHEMBL21295853 0.79 MAPK14 (0.37) ALOX5HSD17B10ALDH1A1MAPK1KDM4E
SCHEMBL28567054 0.77 KDM4E (0.38) ALOX5PRKDCHSD17B10ALDH1A1MAPK1
SCHEMBL21879638 0.75 ALOX5 (0.40) ALOX5PRKDCPIK3CDHSD17B10ALDH1A1
SCHEMBL21295971 0.75 ALOX5 (0.40) ALOX5PRKDCPIK3CDHSD17B10ALDH1A1
SCHEMBL29292915 0.74 PRKDC (0.44) ALOX5PRKDCPIK3CDHSD17B10ALDH1A1
SCHEMBL12613043 0.73 ALOX5 (0.54) ALOX5PRKDCPIK3CDHSD17B10ALDH1A1
SCHEMBL12613380 0.72 ALOX5 (0.52) ALOX5PRKDCPIK3CDHSD17B10ALDH1A1

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