SCHEMBL28199586

SCHEMBL28199586

C=CC(=O)NNC(=O)C=CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 3/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 1/20 0.31
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
SCHEMBL11706106 0.87 ALDH1A1 (0.35) TSHRALDH1A1TP53L3MBTL1
SCHEMBL11706114 0.87 ALDH1A1 (0.35) TSHRALDH1A1TP53L3MBTL1
SCHEMBL25369963 0.81 TSHR (0.53) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28329887 0.80 TSHR (0.46) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL18424029 0.80 TSHR (0.46) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL25721760 0.75 TSHR (0.70) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL1071333 0.74
SCHEMBL23057502 0.72
SCHEMBL17656197 0.72
SCHEMBL5470839 0.70

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-103282800-B Birefringent lens material for stereoscopic image display device and method for manufacturing birefringent lens for stereoscopic image display device DIC株式会社 2018-01-23 CN disclosed