SCHEMBL28629172

SCHEMBL28629172

C=CC(=O)C(N)=C(N)C(=O)C=C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 3/20 0.56
FGFR4 P22455 1/20 0.56
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 3/20 0.33
OR51E2 Q9H255 1/20 0.33
ACHE P22303 1/20 0.31
MAPK1 P28482 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
SCHEMBL2709588 0.79
SCHEMBL2751659 0.76
SCHEMBL1723619 0.76
SCHEMBL28025627 0.73
Acrylamide SCHEMBL1332254 0.72
Acrylamide SCHEMBL1332245 0.72
Acrylamide SCHEMBL170034 0.72 TSHR (1.00) ALDH1A1TSHRFGFR4LMNATDP1
Acrylamide SCHEMBL3051 0.72
Acrylamide SCHEMBL183292 0.72 TSHR (1.00) ALDH1A1TSHRFGFR4LMNATDP1
Acrylamide SCHEMBL9853867 0.71 ALDH1A1 (0.79) ALDH1A1TSHRFGFR4LMNATDP1

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
CN-105026419-B Vaccine composition quantification 勃林格殷格翰动物保健美国有限公司 2021-08-24 CN disclosed