SCHEMBL28193402

SCHEMBL28193402

CC(C)CSN(SCC(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33
ALOX5 P09917 2/20 0.31
SLC7A5 Q01650 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
SCHEMBL7164606 0.79 TDP1 (0.39) TDP1ALOX5
SCHEMBL6415033 0.78 CYP2D6 (0.32) TDP1SLC7A5
SCHEMBL4557462 0.72 TSHR (0.32) TDP1LMNATSHR
SCHEMBL28741427 0.68 NOS3 (0.37) TDP1
SCHEMBL28212374 0.67 ALOX5 (0.33) TDP1LMNAALOX5
Carbamic Acid SCHEMBL28209462 0.67 METAP2 (0.41) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1858800 0.67
SCHEMBL3468187 0.65
SCHEMBL28799445 0.64 LMNA (0.39) TDP1LMNA
SCHEMBL27580578 0.62 ALDH1A1 (0.33) TSHRMAPTALOX5

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-108160085-A A kind of preparation method of silicon-based nano selenium 扬州大学 2018-06-15 CN disclosed
CN-107427869-A Ash processing is with immobilization of heavy metals agent and uses its grey processing method 栗田工业株式会社 2017-12-01 CN disclosed