SCHEMBL29564152

SCHEMBL29564152

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nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MME P08473 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
CYP1A2 P05177 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
SCHEMBL4998500 0.77 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6CACNA2D1ALDH1A1
SCHEMBL7518559 0.75 SLC22A6 (0.39) TDP1SMN1; SMN2MMESLC22A6CACNA2D1
SCHEMBL29974453 0.72 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL27431676 0.71 TDP1 (0.37) TDP1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL4998060 0.71 SLC22A6 (0.31) TDP1SLC22A6
SCHEMBL6435732 0.70 TDP1 (0.40) TDP1SMN1; SMN2MMESLC22A6CACNA2D1
SCHEMBL19729271 0.70 TDP1 (0.40) TDP1SMN1; SMN2MMESLC22A6CACNA2D1
SCHEMBL196267 0.69 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6CACNA2D1ALDH1A1
SCHEMBL6006627 0.69 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6CACNA2D1ALDH1A1
SCHEMBL196268 0.69 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6CACNA2D1ALDH1A1

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-2022073502-A1 USE OF BIOMARKER IN PREPARATION OF LUNG CANCER DETECTION REAGENT AND RELATED METHOD 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2022-04-14 WO disclosed