SCHEMBL29935622

SCHEMBL29935622

N#Cc1ccc(C#N)c2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
AR P10275 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP1A2 P05177 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
SCHEMBL28847063 0.98 CSNK2A1 (0.42) CSNK2A1CSNK2A2CSNK2BMAPTGAA
Lithium Ion SCHEMBL29942212 0.98 CSNK2A1 (0.42) CSNK2A1CSNK2A2CSNK2BMAPTGAA
Lithium SCHEMBL31238629 0.98 CSNK2A1 (0.42) CSNK2A1CSNK2A2CSNK2BMAPTGAA
SCHEMBL29935376 0.87 AR (0.32) CSNK2A1CSNK2A2CSNK2BAR
Lithium Ion SCHEMBL29942207 0.85 AR (0.33) CSNK2A1CSNK2A2CSNK2BAR
Lithium SCHEMBL30899072 0.85 AR (0.31) CSNK2A1CSNK2A2CSNK2BAR
SCHEMBL28847096 0.85 AR (0.31) CSNK2A1CSNK2A2CSNK2BAR
SCHEMBL24161256 0.77 DYRK1A (0.34) MEN1KMT2ANPSR1KDM4EHPGD
SCHEMBL2429554 0.74 MAPT (0.44) MAPTGAAMEN1POLBKMT2A
SCHEMBL29935523 0.74 PSMB8 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4060770-A1 BATTERY CELL, ELECTROLYTE MIXTURE AND USE OF AN ELECTROLYTE MIXTURE VOLKSWAGEN AG (DE) 2022-09-21 EP claimed
EP-4060770-A1 BATTERY CELL, ELECTROLYTE MIXTURE AND USE OF AN ELECTROLYTE MIXTURE VOLKSWAGEN AG (DE) 2022-09-21 EP disclosed