SCHEMBL27401337

SCHEMBL27401337

O=C(N=S)c1ccccc1.[Zn]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.48
CES1 P23141 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CES2 O00748 3/20 0.48
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
GSK3B P49841 2/20 0.44
PTPN1 P18031 2/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL743301 0.97 CES1 (0.50) NR4A2CES1MAPTTDP1MAPK1
Thioacetamide SCHEMBL11747863 0.85 MAPT (0.46) NR4A2CES1MAPTTDP1MAPK1
SCHEMBL2950166 0.77 CES1 (0.50) CES1MAPTTDP1MAPK1CYP3A4
SCHEMBL543877 0.76 CES1 (0.55) CES1MAPTTDP1MAPK1CYP3A4
SCHEMBL1165410 0.74 CES1 (0.52) CES1MAPTTDP1MAPK1CYP3A4
SCHEMBL611693 0.74 CES1 (0.52) CES1MAPTTDP1MAPK1CYP3A4
SCHEMBL10443502 0.74 CES1 (0.52) CES1MAPTTDP1MAPK1CYP3A4
SCHEMBL14394997 0.73 KMT2A (0.54) MAPTTDP1MAPK1KDM4EHPGD
SCHEMBL10764490 0.73 CES1 (0.46) NR4A2CES1MAPTTDP1MAPK1
SCHEMBL826345 0.72 CA2 (0.52) CES1MAPTTDP1MAPK1CYP3A4

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-1081032-C Medicinal preparation containing saccharin zinc ZHANG WEIMIN (CN) 2002-03-20 CN disclosed
CN-1185316-A Medicinal preparation containing saccharin zinc ZHANG WEIMIN (CN) 1998-06-24 CN disclosed