SCHEMBL21295886

SCHEMBL21295886

[c]1cc(-c2ccncc2)c2c(c1)oc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
HSD17B10 Q99714 5/20 0.37
MAPK1 P28482 3/20 0.37
IMPDH2 P12268 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
PGAM1 P18669 1/20 0.34
MAOA P21397 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL28571958 0.87 CDC14B (0.40) HSD17B10MAPK1KDM4EALDH1A1HPGD
SCHEMBL21295882 0.84 CYP11B1 (0.43) HSD17B10CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL21295635 0.82 HSD17B10 (0.43) MAPK14HSD17B10MAPK1IMPDH2CYP11B1
SCHEMBL21295707 0.79 ALOX5 (0.38) MAPK14HSD17B10MAPK1IMPDH2CYP11B1
SCHEMBL28572003 0.78 PIK3CD (0.36) HSD17B10MAPK1IMPDH2KDM4EALDH1A1
SCHEMBL21019638 0.77 CDC14B (0.40) MAPK14HSD17B10MAPK1IMPDH2CYP11B1
SCHEMBL21019647 0.75 MAPK14 (0.40) MAPK14HSD17B10MAPK1IMPDH2CYP11B1
SCHEMBL28581266 0.75 PIK3CD (0.36) MAPK14HSD17B10MAPK1IMPDH2KDM4E
SCHEMBL21019261 0.75 PIK3CA (0.41) MAPK14HSD17B10MAPK1IMPDH2CYP11B1
SCHEMBL21019612 0.73 MAPK14 (0.41) MAPK14HSD17B10MAPK1IMPDH2CYP11B1

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