SCHEMBL29951808

SCHEMBL29951808

Nc1ccnc(C=O)c1OC1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
SCD O00767 1/20 0.32
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
POLB P06746 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
SCHEMBL29955320 0.80 LOXL2 (0.38) SCDLOXLOXL2POLB
SCHEMBL29955125 0.79 PARP10 (0.41) SCD
SCHEMBL29957854 0.77 SCD (0.36) ROCK1SCDLOXLOXL2POLB
SCHEMBL29951753 0.77 KMO (0.37) SCDPOLB
SCHEMBL29951320 0.77 SCD (0.32) LRRK2SCDPOLB
SCHEMBL31357026 0.75 POLB (0.43) LRRK2SCDLOXLOXL2POLB
SCHEMBL29955612 0.74 CCR1 (0.37) ROCK1LOXLOXL2POLB
SCHEMBL29953922 0.73 KAT2B (0.41) LRRK2SCD
SCHEMBL29954270 0.71 LOX (0.38) SCDLOXLOXL2POLB
SCHEMBL29955753 0.70 SCD (0.42) SCDPOLB

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