SCHEMBL1680449

SCHEMBL1680449

CCc1c(C(=O)O)c(C)nn1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4D Q08499 1/20 0.44
NR4A3 Q92570 1/20 0.44
GRM1 Q13255 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALKBH1 Q13686 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL16269098 0.86 NR4A3 (0.43) POLBCYP1A2CYP2C19NR4A3GRM1
SCHEMBL29408222 0.77 ACSS2 (0.43) POLBCYP1A2CYP2C9CYP2C19PDE4D
SCHEMBL22658122 0.77 ACSS2 (0.43) POLBCYP1A2CYP2C9CYP2C19PDE4D
SCHEMBL30713101 0.76 NR4A3 (0.76) POLBNR4A3GRM1L3MBTL1ALDH1A1
SCHEMBL27189127 0.76 NR4A3 (0.76) POLBNR4A3GRM1L3MBTL1ALDH1A1
SCHEMBL15330641 0.72 POLB (1.00) POLBCYP1A2CYP2C9CYP2C19PDE4D
SCHEMBL28692503 0.71 POLB (0.50) POLBCYP1A2CYP2C9CYP2C19PDE4D
SCHEMBL1759058 0.70 ALDH1A1 (0.52) GRM1L3MBTL1ALDH1A1KMT2A
SCHEMBL29478778 0.70 ALDH1A1 (0.52) GRM1L3MBTL1ALDH1A1KMT2A
SCHEMBL22637874 0.70 MARS1 (0.53) GRM1L3MBTL1MEN1ALDH1A1KMT2A

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
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP disclosed
EP-2488510-A1 AMIDES AND THIOAMIDES AS PESTICIDES Bayer CropScience AG (DE) 2012-08-22 EP disclosed
WO-2011045240-A1 AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed