SCHEMBL18616928

SCHEMBL18616928

CN(N)C(=O)c1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ERN1 O75460 4/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 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
SCHEMBL1647150 0.85 MEN1 (0.52) MEN1KMT2ALMNATDP1THRB
SCHEMBL24250390 0.83 MEN1 (0.44) MEN1KMT2ALMNATDP1THRB
SCHEMBL19277030 0.81 MEN1 (0.39) MEN1KMT2ALMNATDP1THRB
SCHEMBL18678765 0.79 LMNA (0.40) MEN1KMT2ALMNATDP1THRB
SCHEMBL28985637 0.79 POLB (0.60) MEN1KMT2ALMNAPOLBHTT
SCHEMBL22434096 0.79 MEN1 (0.41) MEN1KMT2ALMNATDP1THRB
SCHEMBL24810740 0.79 MEN1 (0.40) MEN1KMT2ALMNATDP1THRB
SCHEMBL19676845 0.79 ADRA1D (0.42) MEN1KMT2ALMNATDP1THRB
SCHEMBL22475453 0.77 MEN1 (0.39) MEN1KMT2ALMNATDP1THRB
SCHEMBL20777519 0.77 HPGD (0.43) MEN1KMT2ALMNATDP1THRB

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
WO-2017040766-A1 ANTI-VIRAL TETRAHYDROFURANE DERIVATIVES ABBVIE INC. (US) 2017-03-09 WO disclosed