SCHEMBL28286248

SCHEMBL28286248

O=C(Cl)CCN1C(=O)CSC1=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
GAA P10253 4/20 0.60
GSK3A P49840 8/20 0.57
GSK3B P49841 8/20 0.57
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 5/20 0.51
RECQL P46063 4/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
THRB P10828 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
PLCG1 P19174 1/20 0.42

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
SCHEMBL1279204 0.84 MEN1 (0.77) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL17445529 0.83 MEN1 (0.60) MEN1KMT2AGAAGSK3AGSK3B
Hydrochloric Acid SCHEMBL28286249 0.83 MEN1 (0.74) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL3843056 0.82 GSK3A (0.71) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL3062340 0.81 GSK3A (0.62) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL4579359 0.78 GSK3A (0.59) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL3085058 0.78 KMT2A (0.88) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL11024577 0.77 MEN1 (0.97) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL17445556 0.76 GAA (0.55) MEN1KMT2AGAAGSK3AGSK3B
SCHEMBL20053516 0.76 MEN1 (0.54) MEN1KMT2AGAAGSK3AGSK3B

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-109569521-A A kind of rhodanine functionalization MOFs adsorbent and its preparation method and application 南昌航空大学 2019-04-05 CN disclosed