SCHEMBL21295686

SCHEMBL21295686

[c]1ccc2sc3ccccc3c2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
MAPT P10636 3/20 0.36
MCL1 Q07820 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
DUSP3 P51452 1/20 0.36
BLM P54132 1/20 0.36
PTPN5 P54829 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN11 Q06124 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
F9 P00740 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL21295660 0.87 GPR3 (0.38) GPR3MAPTMCL1MEN1POLB
SCHEMBL16428645 0.87 GPR3 (0.38) GPR3MAPTMCL1MEN1POLB
SCHEMBL21296038 0.84 NPC1 (0.41) GPR3MAPTMEN1KMT2ATDP1
SCHEMBL7601586 0.77 MAPT (0.38) GPR3MAPTMEN1KMT2AHPGD
SCHEMBL21296070 0.76 MIF (0.44) GPR3MAPTMCL1MEN1POLB
SCHEMBL21295781 0.76 GPR3 (0.43) GPR3MAPTMCL1MEN1KMT2A
SCHEMBL21296130 0.75 GPR3 (0.46) GPR3MAPTMCL1MEN1POLB
SCHEMBL9057566 0.73 MAOA (0.39) MAOAMAOB
SCHEMBL2474182 0.71 GPR3 (0.50) GPR3MAPTMCL1MEN1POLB
SCHEMBL30021871 0.71 GPR3 (0.50) GPR3MAPTMCL1MEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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