SCHEMBL23028686

SCHEMBL23028686

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HIF1A Q16665 1/20 0.42
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 3/20 0.34
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NOS1 P29475 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
APEX1 P27695 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
ALB P02768 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL23028694 0.85 TSHR (0.40) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028668 0.84 TSHR (0.42) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028667 0.84 TSHR (0.42) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL4104605 0.80 TSHR (0.37) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028699 0.79 TSHR (0.42) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028698 0.78 TSHR (0.45) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
Guanidinoethyldisulfide SCHEMBL145590 0.71 TSHR (0.69) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL23028691 0.70 ALOX15 (0.37) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL8961402 0.69 ALOX15 (0.42) TSHRHIF1AALOX15CYP1A2SMN1; SMN2
SCHEMBL28773277 0.69 ALOX15 (0.39) TSHRALOX15CYP1A2SMN1; SMN2MEN1

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