SCHEMBL21295767

SCHEMBL21295767

[c]1cccc(-c2ccc3cnccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 7/20 0.47
CYP19A1 P11511 5/20 0.47
CYP17A1 P05093 4/20 0.47
PRKCZ Q05513 1/20 0.46
TDO2 P48775 2/20 0.43
AKT1 P31749 4/20 0.40
ALOX15 P16050 2/20 0.39
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
IMPDH2 P12268 1/20 0.37

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
SCHEMBL21295905 0.94 PRKCZ (0.54) CYP11B2CYP11B1CYP19A1CYP17A1PRKCZ
SCHEMBL28274288 0.80 PRKCZ (0.56) CYP11B2CYP11B1CYP19A1CYP17A1PRKCZ
SCHEMBL6355545 0.79 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1CYP17A1PRKCZ
SCHEMBL1369320 0.79 HSD17B1 (0.50) CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL1371905 0.78 HSD17B1 (0.44) CYP11B2CYP11B1CYP19A1CYP17A1ALOX15
SCHEMBL6533069 0.78 ESR1 (0.37) CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL28586676 0.78 ESR1 (0.52) CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL18891280 0.77 CYP11B1 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1PRKCZ
SCHEMBL444504 0.75 PRKCZ (0.63) CYP11B2CYP11B1CYP19A1CYP17A1PRKCZ
SCHEMBL9957403 0.75 NOTUM (0.52)

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 6 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
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