SCHEMBL21295705

SCHEMBL21295705

Cc1cccc2sc3cc[c]cc3c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.36
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
SLC9A1 P19634 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HCRTR1 O43613 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21295789 0.86 PLAU (0.33) PLAUGPR3ALDH1A1CYP1A2CYP2A6
SCHEMBL21296123 0.81 MAPT (0.36) PLAUGPR3ALDH1A1POLBMAPT
SCHEMBL21296036 0.77 LIMK1 (0.40) GPR3SLC9A1
SCHEMBL2542231 0.77 GPR3 (0.56) PLAUGPR3ALDH1A1POLBMAPT
SCHEMBL4160530 0.76 ALDH1A1 (0.43) PLAUGPR3ALDH1A1POLBMAPT
SCHEMBL2393998 0.76 GPR3 (0.39) GPR3
SCHEMBL109109 0.75 GPR3 (0.61) GPR3ALDH1A1POLBMAPTMEN1
SCHEMBL21295807 0.73 PIK3CD (0.35)
SCHEMBL27196590 0.72 GPR3 (0.38) GPR3ALDH1A1POLBMAPTMEN1
SCHEMBL2541713 0.70 CYP1A2 (0.47) PLAUGPR3ALDH1A1POLBMAPT

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