SCHEMBL23028699

SCHEMBL23028699

N=C(N)NCCSC(=O)CN=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALB P02768 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
SCHEMBL23028698 0.84 TSHR (0.45) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL23028668 0.79 TSHR (0.42) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL23028686 0.79 TSHR (0.42) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL23028667 0.79 TSHR (0.42) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL23028694 0.76 TSHR (0.40) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL23028690 0.73 ALOX15 (0.35) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL4104605 0.72 TSHR (0.37) TSHRHIF1AALOX15MEN1CYP1A2
SCHEMBL3670418 0.71
Guanidinoethyldisulfide SCHEMBL145590 0.67 TSHR (0.69) TSHRHIF1AALOX15MEN1CYP1A2
Guanidinoethyldisulfide SCHEMBL1321518 0.65 TSHR (0.67) TSHRHIF1AALOX15MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021034548-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 WO disclosed