SCHEMBL28217419

SCHEMBL28217419

C=CC(=O)NOC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FGFR4 P22455 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
TGM2 P21980 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL13275793 0.83 MGAM (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11135735 0.82 TSHR (0.41) TSHRALDH1A1MAPK1TDP1FGFR4
SCHEMBL18139168 0.80 TSHR (0.39) TSHRALDH1A1MAPK1TDP1FGFR4
SCHEMBL836331 0.80 ALDH1A1 (0.44) TSHRALDH1A1MAPK1TDP1FGFR4
Water SCHEMBL27576823 0.80 TSHR (0.39) TSHRALDH1A1MAPK1TDP1FGFR4
SCHEMBL7920304 0.78 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1671374 0.78 TSHR (0.38) TSHRALDH1A1MAPK1TDP1
Ammonia Solution, Strong SCHEMBL28190594 0.78 TSHR (0.38) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL29204199 0.77 TSHR (0.37) TSHRALDH1A1MAPK1TDP1
SCHEMBL10590343 0.77 TSHR (0.37) TSHRALDH1A1MAPK1TDP1ZDHHC20

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003288-A Acryloyl group glycine amide -1- vinyl -1,2,4- triazole high intensity copolymer hydrogels and preparation method thereof 天津大学 2018-05-08 CN disclosed
CN-108003289-A The application of acryloyl group glycine amide -1- vinyl -1,2,4- triazole high intensity copolymer hydrogels 天津大学 2018-05-08 CN disclosed