SCHEMBL21295649

SCHEMBL21295649

[c]1ccc(-c2ccncc2)c2sc3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
IMPDH2 P12268 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CCR6 P51684 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR3 P46089 1/20 0.33
NOTUM Q6P988 1/20 0.32
PDE10A Q9Y233 2/20 0.32
LIMK1 P53667 1/20 0.32

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
SCHEMBL7471897 0.88 TNKS (0.38) RAB9AALOX5MAPTMEN1KMT2A
SCHEMBL21295816 0.85 CYP11B1 (0.42) RAB9AKDM4ENPC1ALOX5MAPT
SCHEMBL21295906 0.78 TDO2 (0.39) RAB9AKDM4ENPC1IMPDH2MAPK1
SCHEMBL21296050 0.78 MIF (0.43) RAB9AKDM4ENPC1MAPK1HSD17B10
SCHEMBL20441890 0.76 ALOX5 (0.56) RAB9AKDM4ENPC1IMPDH2MAPK1
SCHEMBL21295656 0.75 ALOX5 (0.38) RAB9AKDM4ENPC1IMPDH2MAPK1
SCHEMBL28570273 0.73 GPR3 (0.39) RAB9AKDM4ENPC1IMPDH2MAPK1
SCHEMBL21296094 0.72 ALOX5 (0.40) RAB9AKDM4ENPC1IMPDH2MAPK1
SCHEMBL21295650 0.71 GPR3 (0.40) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL27542535 0.69 IMPDH2 (0.43) RAB9AKDM4ENPC1IMPDH2MAPK1

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