SCHEMBL21295789

SCHEMBL21295789

Cc1cccc2sc3c[c]ccc3c12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
GPR3 P46089 1/20 0.31

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
SCHEMBL21295705 0.86 PLAU (0.36) PLAUALDH1A1CYP1A2CYP2A6GPR3
SCHEMBL21295748 0.81 CYP2A6 (0.35) ALDH1A1CYP1A2CYP2A6GPR3
SCHEMBL21295721 0.77 LIMK1 (0.40) GPR3
SCHEMBL2542231 0.77 GPR3 (0.56) PLAUALDH1A1CYP1A2CYP2A6GPR3
SCHEMBL4160530 0.76 ALDH1A1 (0.43) PLAUALDH1A1CYP1A2CYP2A6GPR3
SCHEMBL2393082 0.76 GPR3 (0.39) GPR3
SCHEMBL1965324 0.75 GPR3 (0.61) ALDH1A1CYP1A2GPR3
SCHEMBL21295709 0.73 PIK3CD (0.35)
SCHEMBL21295693 0.73 GPR3 (0.46) ALDH1A1CYP1A2GPR3
SCHEMBL28508073 0.72 NQO2 (0.36) ALDH1A1CYP1A2CYP2A6GPR3

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