SCHEMBL21295754

SCHEMBL21295754

[c]1cccc2cc(-c3ccncc3)sc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
AR P10275 1/20 0.37
KMT2A Q03164 1/20 0.37
CDC7 O00311 4/20 0.36
DBF4 Q9UBU7 4/20 0.36
CYP19A1 P11511 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 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
SCHEMBL21295617 0.84 ESR1 (0.42) KDM4EKMT2AAPPNPC1RAB9A
SCHEMBL28583818 0.84 HDAC3 (0.45) KDM4ECYP19A1HDAC3HDAC4HDAC1
SCHEMBL21295978 0.74 KDM4E (0.50) KDM4ECYP19A1HDAC3HDAC4HDAC1
SCHEMBL28571956 0.73 KDM4E (0.37) KDM4ECDC7DBF4HDAC3HDAC4
SCHEMBL10505563 0.70 KDM4E (0.56) KDM4EARKMT2ACDC7DBF4
SCHEMBL29809458 0.69 PDE10A (0.48) CDC7DBF4PIK3CDCDK2GSK3B
SCHEMBL9679593 0.68 POLQ (0.30)
SCHEMBL9692951 0.67
SCHEMBL4805256 0.67
SCHEMBL4804408 0.67

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