SCHEMBL3466752

SCHEMBL3466752

O=C(O)Oc1sc(=S)sc1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL4867747 0.70
SCHEMBL5071806 0.70
SCHEMBL5238525 0.67 TPMT (0.35) HSD17B10MAPTALDH1A1
SCHEMBL9160350 0.64 DAO (0.32)
SCHEMBL472842 0.63 HSD17B10 (0.43) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL3468019 0.63 HSD17B10 (0.50) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL5235288 0.62 KDM4E (0.36) HSD17B10ALDH1A1
SCHEMBL11039343 0.62 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL1654688 0.62 HSD17B10 (1.00) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL5697079 0.60 CA1 (0.31)

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
WO-2010043218-A2 TETRATHIOL LIGANDS, METAL COMPLEXES, CONJUGATES, AND KITS, THE USE THEREOF IN NUCLEAR MEDICINE DIAGNOSTICS AND ENDORADIONUCLIDE THERAPY, AND METHOD FOR PRODUCING THE TETRATHIOL LIGANDS AND METAL COMPLEXES FORSCHUNGSZENTRUM DRESDEN - ROSSENDORF E. V. (DE) 2010-04-22 WO claimed
WO-2010043218-A2 TETRATHIOL LIGANDS, METAL COMPLEXES, CONJUGATES, AND KITS, THE USE THEREOF IN NUCLEAR MEDICINE DIAGNOSTICS AND ENDORADIONUCLIDE THERAPY, AND METHOD FOR PRODUCING THE TETRATHIOL LIGANDS AND METAL COMPLEXES FORSCHUNGSZENTRUM DRESDEN - ROSSENDORF E. V. (DE) 2010-04-22 WO disclosed