SCHEMBL28026890

SCHEMBL28026890

N#CC1=C(N(N)C(N)=O)SC(N(N)C(N)=O)=C(C#N)C1c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.56
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
NPC1 O15118 1/20 0.38
CUL4A Q13619 3/20 0.38
KMT2A Q03164 2/20 0.37
CLK2 P49760 1/20 0.37
MAP4K2 Q12851 1/20 0.37
MARK2 Q7KZI7 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
SLK Q9H2G2 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL28027509 0.85 CUL4A (0.55) EEF2KMAPTGAAGFERCACNA1B
SCHEMBL28027503 0.84 CUL4A (0.59) EEF2KCUL4A
SCHEMBL28026886 0.81 CUL4A (0.51) MAPTGAACACNA1BAPBA1ALDH1A1
SCHEMBL28026889 0.78 CUL4A (0.54) MAPTGAAGFERALDH1A1KDM4E
SCHEMBL28026888 0.78 KMT2A (0.43) MAPTGAACACNA1BAPBA1ALDH1A1
SCHEMBL28027554 0.76 MAPT (0.61) MAPTALDH1A1KDM4ETSHRNPC1
SCHEMBL28027514 0.73 CUL4A (0.54) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL28026887 0.73 KMT2A (0.40) MAPTGAAALDH1A1KDM4ETSHR
SCHEMBL15572213 0.72 EEF2K (1.00) EEF2KMAPTGAAALDH1A1KDM4E
SCHEMBL28027511 0.72 ALDH1A1 (0.58) MAPTALDH1A1KDM4ETSHRNPC1

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
CN-104968323-A Inhibitors of CRL4 ubiquitin ligase and uses thereof UNIV CORNELL 2015-10-07 CN claimed
CN-104968323-A Inhibitors of CRL4 ubiquitin ligase and uses thereof UNIV CORNELL 2015-10-07 CN disclosed