SCHEMBL21295979

SCHEMBL21295979

[c]1cc(-c2ccccn2)cc2ccsc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL28577018 0.76 PIK3CD (0.40) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21295910 0.74 LMNA (0.38) KDM4ELMNAPOLBL3MBTL1PIK3CD
SCHEMBL21295679 0.73 CYP2A6 (0.46) KDM4ECYP1A2L3MBTL1RAB9ANPC1
SCHEMBL21295757 0.72 KDM4E (0.41) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21295891 0.70 KDM4E (0.38) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21295833 0.70 CTNNB1 (0.39) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL28575273 0.70 CYP2A6 (0.40) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL9958218 0.69 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL26260190 0.67 KDM4E (0.57) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL16672906 0.66 KDM4E (0.68) KDM4ECCR1CCR5CCR8LMNA

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