SCHEMBL28530583

SCHEMBL28530583

C=CCCN1C(=O)CSC1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 8/20 0.51
GSK3B P49841 8/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 4/20 0.50
ALDH1A1 P00352 5/20 0.43
PAX8 Q06710 1/20 0.43
RECQL P46063 4/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
THRB P10828 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 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
SCHEMBL3062340 0.82 GSK3A (0.62) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL181568 0.81 GSK3A (0.53) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL4579359 0.76 GSK3A (0.59) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL3138532 0.76 GSK3A (0.56) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL16636652 0.76 GSK3A (0.56) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL6417260 0.75
Isothiocyanate SCHEMBL28928634 0.75 GSK3A (0.46) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL2788487 0.73 MEN1 (0.59) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL1279204 0.71 MEN1 (0.77) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL186221 0.71 MEN1 (0.62) GSK3AGSK3BMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108816201-B Silver ion adsorption material and preparation method and application thereof 南昌航空大学 2021-03-12 CN claimed
CN-108816201-B Silver ion adsorption material and preparation method and application thereof 南昌航空大学 2021-03-12 CN disclosed
CN-108816201-B Silver ion adsorption material and preparation method and application thereof 南昌航空大学 2021-03-12 CN disclosed