SCHEMBL2878460

SCHEMBL2878460

CC(NC(=O)c1csc(Nc2ccccc2)n1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 6/20 0.56
CLK1 P49759 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
DYRK3 O43781 1/20 0.50
CLK2 P49760 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGDS O60760 1/20 0.49
KDM1A O60341 2/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 1/20 0.49
CHEK1 O14757 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13342146 0.88 AMY1A (0.60) AMY1ACLK1CLK4DYRK3CLK2
SCHEMBL4929872 0.88 AMY1A (0.60) AMY1ACLK1CLK4KMT2AMEN1
SCHEMBL12560881 0.82 AMY1A (0.62) AMY1ACLK1CLK4DYRK3CLK2
SCHEMBL13116110 0.78 AMY1A (0.58) AMY1ACLK1CLK4DYRK3CLK2
SCHEMBL13101601 0.78 AMY1A (0.58) AMY1ACLK1CLK4DYRK3CLK2
SCHEMBL2285389 0.78 AMY1A (0.60) AMY1ACLK1CLK4DYRK3CLK2
SCHEMBL27827106 0.77 AMY1A (0.63) AMY1ACLK1CLK4DYRK3CLK2
SCHEMBL16585983 0.77 ALDH1A1 (0.50) GAARAB9AMAPT
SCHEMBL2878440 0.77 HDAC3 (0.45) RAB9AMAPT
SCHEMBL14184628 0.77 AMY1A (0.64) AMY1AKMT2AMEN1KDM1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed