SCHEMBL29956486

SCHEMBL29956486

NC(=O)c1cncc(C=O)c1OC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
PARP1 P09874 5/20 0.36
PARP10 Q53GL7 1/20 0.36
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAPK8 P45983 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL29953254 0.87 MAP4K4 (0.33) MAP4K4PDE4D
SCHEMBL29953031 0.83 KAT2B (0.40) MAP4K4CYP11B2PDE4D
SCHEMBL29958451 0.78 MAP4K4 (0.32) MAP4K4
SCHEMBL29952660 0.78 PARP10 (0.40) MKNK1MKNK2PARP1PARP10CYP11B1
SCHEMBL29951686 0.77 MKNK1 (0.44) MAP4K4MKNK1MKNK2PARP1PARP10
SCHEMBL29953869 0.77 MAP4K4 (0.40) MAP4K4MKNK1MKNK2PARP10PDE4D
SCHEMBL29951309 0.75 POLB (0.32) MAP4K4
SCHEMBL29952522 0.75 POLB (0.32)
SCHEMBL29955125 0.70 PARP10 (0.41) MAP4K4MKNK1MKNK2PARP10MAPK8
SCHEMBL29955580 0.69 POLB (0.37) MAP4K4MKNK1MKNK2

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