SCHEMBL29952825

SCHEMBL29952825

NC(=O)c1c(OC2CC2)ccnc1C=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.38
MKNK2 Q9HBH9 3/20 0.38
SCD O00767 1/20 0.38
IRAK4 Q9NWZ3 6/20 0.38
PARP10 Q53GL7 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.35
AR P10275 2/20 0.35
KMO O15229 1/20 0.35
MAP4K4 O95819 1/20 0.34

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
SCHEMBL29951053 0.87 KMO (0.41) SCDPDE4APDE4BPDE4CPDE4D
SCHEMBL29956219 0.83 KAT2B (0.42) SCDIDO1AR
SCHEMBL30565754 0.79 IRAK4 (0.41) MKNK1MKNK2IRAK4PDE4APDE4B
SCHEMBL29957854 0.79 SCD (0.36) MKNK1MKNK2SCDPOLBIDO1
SCHEMBL29955574 0.77 MKNK1 (0.38) MKNK1MKNK2SCDIRAK4PARP10
SCHEMBL29955125 0.77 PARP10 (0.41) MKNK1MKNK2SCDIRAK4PARP10
SCHEMBL29954270 0.75 LOX (0.38) SCDIRAK4POLBIDO1AR
SCHEMBL29951407 0.75 POLB (0.36) SCDPOLBIDO1ARKMO
SCHEMBL29957162 0.74 PDE4A (0.44) MKNK1MKNK2SCDPARP10PDE4A
SCHEMBL29955753 0.72 SCD (0.42) MKNK1MKNK2SCDPDE4APDE4B

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