SCHEMBL29128745

SCHEMBL29128745

NC(=S)NN=Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
GAA P10253 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
USP2 O75604 2/20 0.60
KDM4E B2RXH2 6/20 0.54
NPC1 O15118 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MPI P34949 1/20 0.51
PIK3CG P48736 1/20 0.51
HTT P42858 2/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL15694787 0.79 ALDH1A1 (0.56) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL684484 0.79 KDM4E (0.55) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28491589 0.78 KDM4E (0.62) L3MBTL1ALDH1A1MAPTGAAMEN1
SCHEMBL18746292 0.78 L3MBTL1 (0.72) L3MBTL1ALDH1A1MAPTGAAMEN1
SCHEMBL684778 0.76 KDM4E (0.74) L3MBTL1ALDH1A1MAPTGAAMEN1
SCHEMBL2697239 0.74 ERN1 (0.57) L3MBTL1ALDH1A1MAPTGAAMEN1
SCHEMBL684862 0.74 KDM4E (0.79) L3MBTL1MAPTMEN1KMT2AUSP2
SCHEMBL14906895 0.74 MEN1 (0.70) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL7968630 0.73 KDM4E (0.49) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7968626 0.73 KDM4E (0.49) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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-117264220-A Preparation method of Co (II) coordination polymer bacteriostat 鲁东大学 2023-12-22 CN claimed
CN-117264220-A Preparation method of Co (II) coordination polymer bacteriostat 鲁东大学 2023-12-22 CN disclosed