SCHEMBL29954887

SCHEMBL29954887

NCc1cc(C=O)c(OC2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CSNK2A1 P68400 2/20 0.33
LNPEP Q9UIQ6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
LMNA P02545 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
SCHEMBL29956019 0.88 POLB (0.42) POLBCSNK2A1LNPEPLOXLOXL2
SCHEMBL29954499 0.80 POLB (0.42) POLBKDM4EALDH1A1LMNA
SCHEMBL29957189 0.78 PDE4A (0.45) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL29953202 0.73 KMO (0.44) POLBKDM4EPDE4APDE4BPDE4C
SCHEMBL29955297 0.73 POLB (0.42) POLB
SCHEMBL29954303 0.73 POLB (0.36) POLBCSNK2A1LOXLOXL2
SCHEMBL29955920 0.73 CSNK2A1 (0.54) POLBCSNK2A1LOXLOXL2PDE4A
SCHEMBL29952137 0.72 AOC3 (0.40) POLBCSNK2A1LOX
SCHEMBL29957202 0.72 POLB (0.37) POLBCSNK2A1ALDH1A1LOXLOXL2
SCHEMBL29951840 0.71 POLB (0.42) POLBKDM4EALDH1A1PDE4APDE4B

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