SCHEMBL29993198

SCHEMBL29993198

CN(C(N)=S)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.47
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10943484 0.85 MEN1 (0.50) MEN1KMT2AGAAL3MBTL1HSD17B1
SCHEMBL8748156 0.83 ALDH1A1 (0.52) MEN1KMT2AGAAHTR3EHTR3B
SCHEMBL2467467 0.81 HTR3E (0.45) MEN1KMT2AGAAHTR3EHTR3B
SCHEMBL28141847 0.78 TP53 (0.50) MEN1KMT2AHSD17B1HSD17B2TP53
SCHEMBL11174926 0.78 TACR1 (0.50) MEN1KMT2AHSD17B1HSD17B2TP53
SCHEMBL10943479 0.77 TP53 (0.49) MEN1KMT2AHSD17B1HSD17B2TP53
SCHEMBL8601016 0.77 TP53 (0.49) MEN1KMT2AHSD17B1HSD17B2TP53
SCHEMBL30901511 0.76 TSHR (0.48) MEN1KMT2AGAATSHRMAPK1
SCHEMBL171829 0.76 TSHR (0.48) MEN1KMT2AGAATSHRMAPK1
SCHEMBL9270615 0.76 GAA (0.47) MEN1KMT2AGAAHSD17B1HSD17B2

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-113394456-B Lithium metal battery electrolyte additive and application thereof 厦门大学 2022-11-11 CN disclosed