SCHEMBL21295660

SCHEMBL21295660

[c]1ccc2sc3ccccc3c2c1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 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
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.33
DUSP3 P51452 1/20 0.33
BLM P54132 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
MCL1 Q07820 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
SCHEMBL21295686 0.87 GPR3 (0.43) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL21296038 0.84 NPC1 (0.41) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL16428645 0.82 GPR3 (0.38) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL21295656 0.79 ALOX5 (0.38) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL21296070 0.78 MIF (0.44) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL7601586 0.72 MAPT (0.38) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL9057566 0.71 MAOA (0.39)
SCHEMBL21296130 0.70 GPR3 (0.46) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL21295818 0.70 GPR3 (0.38) GPR3RAB9AKDM4ENPC1MAPT
SCHEMBL21295649 0.69 RAB9A (0.36) GPR3RAB9AKDM4ENPC1MAPT

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