SCHEMBL29954499

SCHEMBL29954499

Nc1cc(C=O)c(OC2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TRPC6 Q9Y210 5/20 0.37
FEN1 P39748 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MCHR1 Q99705 3/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX5AP P20292 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
RIPK2 O43353 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K3 Q8IVH8 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
SCHEMBL29951840 0.87 POLB (0.42) POLBTRPC6FEN1ALDH1A1KDM4E
SCHEMBL29954887 0.80 POLB (0.42) POLBALDH1A1KDM4ELMNA
SCHEMBL29957189 0.79 PDE4A (0.45) POLBTRPC6MKNK1MKNK2
SCHEMBL29953202 0.77 KMO (0.44) POLBTRPC6KDM4ETDP1SMN1; SMN2
SCHEMBL29955297 0.77 POLB (0.42) POLB
SCHEMBL29950803 0.75 POLB (0.37) POLBTRPC6FEN1MCHR1MKNK1
SCHEMBL23012508 0.74 TRPC6 (0.37) POLBTRPC6FEN1MCHR1ALOX5AP
SCHEMBL29953376 0.73 POLB (0.40) POLBALDH1A1KDM4ETSHRTDP1
SCHEMBL29955580 0.72 POLB (0.37) POLBMCHR1MKNK1MKNK2
SCHEMBL21045685 0.71 IKBKB (0.38) POLBTRPC6FEN1MCHR1ALOX5AP

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