SCHEMBL30882155

SCHEMBL30882155

CN(C)c1ccccc1N=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTR6 P50406 1/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL150284 1.00 MAPT (0.45) MAPTALDH1A1GAATP53TSHR
Hydrochloric Acid SCHEMBL9404129 0.98 MAPT (0.43) MAPTALDH1A1GAATP53TSHR
Hydrochloric Acid SCHEMBL10435549 0.96 MAPT (0.42) MAPTALDH1A1GAATP53TSHR
SCHEMBL673129 0.82 ALDH1A1 (0.41) MAPTALDH1A1GAATP53TSHR
SCHEMBL1912011 0.80 MAPT (0.45) MAPTALDH1A1GAATP53TSHR
SCHEMBL8722208 0.80 MAPT (0.48) MAPTALDH1A1GAATP53TSHR
SCHEMBL3196129 0.80 MAPT (0.48) MAPTALDH1A1GAATP53TSHR
SCHEMBL14511099 0.79 SIGMAR1 (0.33) MAPTALDH1A1GAATP53TSHR
SCHEMBL9196551 0.78 MAPT (0.46) MAPTALDH1A1GAATP53TSHR
SCHEMBL21578004 0.76 MAPT (0.44) MAPTALDH1A1GAATP53TSHR

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-117964464-A Synthesis method of ethyl vanillin 浙江师范大学 2024-05-03 CN disclosed