SCHEMBL21295802

SCHEMBL21295802

[c]1ccccc1-c1ccc2cnccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.47
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP19A1 P11511 3/20 0.44
CYP17A1 P05093 1/20 0.44
PRKCZ Q05513 1/20 0.42
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
IMPDH2 P12268 2/20 0.40
AKT1 P31749 3/20 0.40
CYP3A4 P08684 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
MAPK8 P45983 2/20 0.36

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
SCHEMBL21295689 0.94 PRKCZ (0.50) TDO2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL948858 0.81 GSTP1 (0.45) CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL21295939 0.79 ESR1 (0.39) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL8589112 0.78 ESR1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL18891280 0.77 CYP11B1 (0.69) TDO2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL715462 0.76 GRM4 (0.42) IMPDH2
SCHEMBL6355545 0.75 CYP11B2 (0.61) TDO2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL8590691 0.75 CYP2A6 (0.50) CYP19A1
SCHEMBL15826005 0.74 ESR1 (0.52) CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL9958649 0.73 NOTUM (0.50) CYP11B1CYP11B2CYP17A1CDC7CDK2

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 5 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
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
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed