Thiosemicarbazide

Thiosemicarbazide

SCHEMBL4562908

CNC(=S)NN.NNC(N)=S

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 2/20 0.59
PTGS2 P35354 1/20 0.59
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS2R38 P59533 1/20 0.32
LMNA P02545 1/20 0.31
NOS1 P29475 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL22130034 0.91 ALDH1A1 (0.41) ALDH1A1HSD17B10PTGS2GAAMAPT
SCHEMBL379153 0.91
SCHEMBL30564576 0.88 ALDH1A1 (0.39) ALDH1A1HSD17B10PTGS2GAAMAPT
SCHEMBL29088267 0.88
Hydrochloric Acid SCHEMBL9004846 0.88
Methyl Alcohol SCHEMBL28498396 0.88
Urea SCHEMBL27701208 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10PTGS2GAAMAPT
SCHEMBL9491675 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10PTGS2HPGD
Thiosemicarbazide SCHEMBL9222911 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10PTGS2HPGDGAA
Thiosemicarbazide SCHEMBL28586936 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968651-B1 STABILIZED COMPOSITIONS AND METHODS FOR RADIOLABELING PHARMACEUTICALS WITH ALPHA-PARTICLE EMITTERS UNIV DUKE (US) 2013-03-13 EP disclosed
US-8337810-B2 Stabilized compositions and methods for radiolabeling pharmaceuticals with alpha-particle emitters DUKE UNIVERSITY (US) 2012-12-25 US disclosed
US-20090304585-A1 Stabilized Compositions and Methods for Radiolabeling Pharmaceuticals with Alpha-Particle Emitters DUKE UNIVERSITY (US) 2009-12-10 US disclosed
EP-1968651-A2 STABILIZED COMPOSITIONS AND METHODS FOR RADIOLABELING PHARMACEUTICALS WITH ALPHA-PARTICLE EMITTERS Duke University (US) 2008-09-17 EP disclosed
WO-2007120251-A2 STABILIZED COMPOSITIONS AND METHODS FOR RADIOLABELING PHARMACEUTICALS WITH ALPHA-PARTICLE EMITTERS DUKE UNIVERSITY (US) 2007-10-25 WO disclosed