Thiosemicarbazide

Thiosemicarbazide

SCHEMBL28628852

N=C(N)N.NNC(N)=S.O=S(=O)(O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Thiosemicarbazide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 1/20 0.33
MAOB known ✓ P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
PTGS2 P35354 1/20 0.56
KDM4E B2RXH2 2/20 0.42
BLM P54132 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.32
TAS2R38 P59533 1/20 0.31

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
Pimagedine SCHEMBL27731082 0.92 ALDH1A1 (0.53) ALDH1A1HSD17B10PTGS2KDM4EBLM
Thiosemicarbazide SCHEMBL7524661 0.91 ALDH1A1 (0.67) ALDH1A1HSD17B10PTGS2KDM4EBLM
Thiosemicarbazide SCHEMBL11687122 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10PTGS2KDM4EBLM
Thiosemicarbazide SCHEMBL11685737 0.85
Sulfuric Acid SCHEMBL10539875 0.82 KDM4E (0.50) KDM4EBLMCYP2D6CYP2C19NPSR1
Pimagedine SCHEMBL27731079 0.81 BLM (0.63) ALDH1A1HSD17B10PTGS2KDM4EBLM
Pimagedine SCHEMBL439903 0.79 KDM4E (0.48) ALDH1A1HSD17B10PTGS2KDM4EBLM
Pimagedine SCHEMBL728583 0.79 KDM4E (0.48) ALDH1A1HSD17B10PTGS2KDM4EBLM
Thiosemicarbazide SCHEMBL28824583 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10PTGS2TSHRCYP1A2
Sulfuric Acid SCHEMBL1318239 0.78 BLM (0.59) ALDH1A1HSD17B10KDM4EBLMCYP2D6

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-113463074-B Copper deposition composition and copper deposition method 广东硕成科技股份有限公司 2022-06-14 CN disclosed
CN-113463074-A Copper deposition composition and copper deposition method 广东硕成科技有限公司 2021-10-01 CN disclosed