SCHEMBL29957556

SCHEMBL29957556

NCc1cncc(OC2CC2)c1C=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
AOC3 Q16853 4/20 0.33
CSNK2A1 P68400 2/20 0.31
AOC1 P19801 2/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL29953447 0.80 POLB (0.34) POLBMAP4K4
SCHEMBL29957762 0.77 HRH1 (0.39) POLBCSNK2A1
SCHEMBL29951309 0.76 POLB (0.32) POLBAOC3AOC1MAP4K4
SCHEMBL29952137 0.76 AOC3 (0.40) POLBAOC3CSNK2A1MAP4K4
SCHEMBL29951686 0.75 MKNK1 (0.44) POLBMAP4K4
SCHEMBL29958343 0.73 ERN1 (0.35) POLBMAP4K4
SCHEMBL29955833 0.73 POLB (0.35) POLBAOC3AOC1
SCHEMBL29954303 0.72 POLB (0.36) POLBCSNK2A1
SCHEMBL29956175 0.72 POLB (0.36) POLBCSNK2A1
SCHEMBL7060307 0.71 PDE4B (0.42) POLBCSNK2A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed