SCHEMBL29951810

SCHEMBL29951810

NCc1nc(C=O)ccc1OC1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.36
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.34
S1PR4 O95977 2/20 0.33
MCHR1 Q99705 1/20 0.31
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL29953789 0.80 CCR1 (0.37) POLBCCR1S1PR4MCHR1
SCHEMBL27963910 0.79 RECQL (0.39) CSNK2A1POLB
SCHEMBL29954305 0.75 PARP10 (0.39) CCR1
SCHEMBL29957224 0.73 POLB (0.35) POLBCCR1S1PR4MCHR1
SCHEMBL29953999 0.73 CSNK2A1 (0.36) CSNK2A1POLBMCHR1LOXLOXL2
SCHEMBL29950889 0.73 KMO (0.39) POLBCCR1
SCHEMBL29951188 0.72 LOX (0.38) CSNK2A1POLBLOXLOXL2
SCHEMBL29957202 0.70 POLB (0.37) CSNK2A1POLBLOXLOXL2
SCHEMBL23753774 0.68 HTR1A (0.42) CSNK2A1MCHR1LOXLOXL2
SCHEMBL29951144 0.68 CSNK2A1 (0.40) CSNK2A1POLB

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