SCHEMBL21297627

SCHEMBL21297627

[c]1coc2cccc(-c3ccccc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HNF4A P41235 1/20 0.32
BACE1 P56817 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL21295726 0.84 PIK3CD (0.37) ALDH1A1HSD17B10HPGDMAPK1RAB9A
SCHEMBL21295794 0.78 KDM4E (0.41) ALDH1A1HSD17B10HPGDCYP2A6MAPK1
SCHEMBL21295623 0.72 PIN1 (0.38) DPP4ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL16289736 0.69 EGFR (0.35) ALDH1A1HSD17B10HPGDMAPK1RAB9A
SCHEMBL21295723 0.69 ALDH1A1 (0.34) DPP4ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL7433495 0.68 GPR55 (0.37) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL21295858 0.67 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL12203195 0.66 ALDH1A1 (0.44) DPP4ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL16289585 0.65 TSHR (0.33) ALDH1A1KDM4E
SCHEMBL5539195 0.65 GABRA1 (0.39) DPP4HPGD

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