SCHEMBL534248

SCHEMBL534248

NC(=S)NN=Cc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.68
CTH P32929 1/20 0.66
ADORA2A P29274 1/20 0.62
HKDC1 Q2TB90 1/20 0.59
RRM2 P31350 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RRM1 P23921 1/20 0.59
RRM2B Q7LG56 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.55

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
SCHEMBL293101 1.00 TOP2A (0.68) TOP2ACTHADORA2AHKDC1RRM2
SCHEMBL31690655 0.86 TOP2A (0.82) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL28284810 0.85 TOP2A (0.52) TOP2ACTHADORA2AHKDC1RRM2
SCHEMBL31690665 0.84 TOP2A (0.73) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL13826730 0.83 NPC1 (0.68) TOP2ACTHNPC1RAB9AMEN1
SCHEMBL2562208 0.83 TOP2A (0.68) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL14542967 0.83 NPC1 (0.59) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL4100136 0.83 NPC1 (0.59) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL4100134 0.83 NPC1 (0.59) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL2562207 0.83 TOP2A (0.68) TOP2ACTHADORA2AHKDC1NPC1

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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184574-A Modified polyoxometalate organic-inorganic hydrogel and preparation method and application thereof 河南大学 2024-06-14 CN claimed
CN-110698511-B Tin complex with 2-pyridinecarboxaldehyde thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2021-09-14 CN claimed
US-20210229064-A1 BRANCHED POLYMER CROSS-LINKED GRAPHENE OXIDE ADSORBENT MATERIAL DUKE UNIVERSITY 2021-07-29 US claimed
CN-109810128-B Indium complex with 2-pyridylaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2021-04-02 CN claimed
CN-112079853-A Zinc complex with 2-pyridylaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2020-12-15 CN claimed
CN-110698511-A Tin complex with 2-pyridinecarboxaldehyde thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2020-01-17 CN claimed
CN-109897071-A It is a kind of using 2- pyridine carboxaldehyde thiosemicarbazones as the platinum complex of ligand and its synthetic method and application 广西师范大学 2019-06-18 CN claimed
CN-109810128-A It is a kind of using 2- pyridine carboxaldehyde thiosemicarbazones as the indium complex of ligand and its synthetic method and application 广西师范大学 2019-05-28 CN claimed
CN-106630200-A Scale inhibitor and preparation method therefore and scale inhibiting method of seawater desalting device 国家开发投资公司 2017-05-10 CN claimed
CN-102060866-B Rare earth ternary complex as well as preparation method and application thereof UNIV SHANGHAI 2013-01-16 CN claimed
CN-102417516-A 2-pyridylaldehyde thiosemicarbazone Schiff base/8-hydroxyquinoline/rare earth ternary complex, and preparation method and application thereof UNIV SHANGHAI 2012-04-18 CN claimed
CN-102060866-A Rare earth ternary complex as well as preparation method and application thereof UNIV SHANGHAI 2011-05-18 CN claimed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US claimed
US-4655885-A DIRECTLY TRANSFERRING ELECTRONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-04-07 US claimed
EP-0187719-A2 Surface-modified electrode and its use in a bioelectrochemical process NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-07-16 EP claimed
JP-6128230-A None JP disclosed
US-12144833-B1 Copper chelation therapeutics BERMUDES DAVID GORDON (US) 2024-11-19 US disclosed
US-4657903-A Transition metal complexes of the selenium analogs of 2-acetyl- and 2-propionylpyridine thiosemicarbazones useful for treating malarial infections and leukemia THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-04-14 US disclosed
US-4655885-A DIRECTLY TRANSFERRING ELECTRONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-04-07 US disclosed
EP-0187719-A2 Surface-modified electrode and its use in a bioelectrochemical process NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-07-16 EP disclosed