SCHEMBL21295693

SCHEMBL21295693

Cc1c[c]cc2sc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
DUSP3 P51452 1/20 0.37
BLM P54132 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
MCL1 Q07820 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
RAB9A P51151 3/20 0.36
CYP1A2 P05177 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2542231 0.78 GPR3 (0.56) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL21879711 0.75 GPR3 (0.43) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL21295868 0.74 GPR3 (0.46) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL30278834 0.73 GPR3 (0.50) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL421647 0.73 GPR3 (0.50) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL21295789 0.73 PLAU (0.33) GPR3ALDH1A1CYP1A2
SCHEMBL1636538 0.73 GPR3 (0.68) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL14798097 0.72 GPR3 (0.48) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL21296130 0.70 GPR3 (0.46) GPR3MAPTALDH1A1POLBMEN1
SCHEMBL18818941 0.70 GPR3 (0.46) GPR3MAPTALDH1A1POLBMEN1

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