SCHEMBL28531503

SCHEMBL28531503

COC(=O)C(C)(Nc1ccccc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KCNN4 O15554 1/20 0.52
SRC P12931 1/20 0.47
ELANE P08246 1/20 0.42
TSHR P16473 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
CDK9 P50750 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL28815280 0.91 MAPT (0.58) MAPTKCNN4SRCELANETSHR
SCHEMBL9756879 0.84 MAPT (0.59) MAPTKCNN4SRCELANETSHR
SCHEMBL28229440 0.82 MAPT (0.57) MAPTKCNN4SRCELANETSHR
SCHEMBL5514973 0.81 NAPRT (0.46) MAPTTSHRNAPRTHSD17B10PDK1
SCHEMBL28599089 0.75 KCNN4 (0.51) MAPTKCNN4SRCELANEPDK1
SCHEMBL9818551 0.74 MAPT (0.49) MAPTKCNN4SRCELANETSHR
SCHEMBL28606629 0.74 KCNN4 (0.50) MAPTKCNN4SRCELANETSHR
SCHEMBL2419456 0.73 KCNN4 (0.64) MAPTKCNN4SRCELANETSHR
SCHEMBL13333851 0.73 PDK1 (0.54) MAPTKCNN4SRCELANETSHR
SCHEMBL11350456 0.72 NAPRT (0.52) MAPTTSHRNAPRTHSD17B10PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044226-A 3-amino-5-nitrobenzoisothiazole-based dye and preparation method thereof 金塔县晋泰森新材料科技有限公司 2022-09-13 CN claimed
CN-115044226-A 3-amino-5-nitrobenzoisothiazole-based dye and preparation method thereof 金塔县晋泰森新材料科技有限公司 2022-09-13 CN disclosed
CN-112574587-A Cationic dye containing ester group and polyester group and having high washing fastness 东华大学 2021-03-30 CN disclosed
CN-106700647-B Orange-red disperse dye composition and dye product 浙江龙盛化工研究有限公司 2021-02-02 CN disclosed