SCHEMBL29955972

SCHEMBL29955972

NC(=O)c1cc(OC2CC2)c(C=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
POLB P06746 1/20 0.39
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
MAP4K4 O95819 1/20 0.37
PARP10 Q53GL7 1/20 0.36
GSK3B P49841 1/20 0.35
GPR6 P46095 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
SCD O00767 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL29957189 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29957502 0.87 KMO (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29956041 0.83 POLB (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29951840 0.80 POLB (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29956019 0.79 POLB (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29953202 0.77 KMO (0.44) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL21222763 0.76 GSK3B (0.39) GSK3B
SCHEMBL29951399 0.75 POLB (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL29956602 0.75 PARP10 (0.50) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL29955501 0.75 POLB (0.43) POLB

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