SCHEMBL29014372

SCHEMBL29014372

NCCNCCOS(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.54
CA2 P00918 18/20 0.54
CA9 Q16790 16/20 0.54
CA12 O43570 6/20 0.52
CA6 P23280 6/20 0.52
CA7 P43166 6/20 0.52
CA14 Q9ULX7 6/20 0.52
CA5B Q9Y2D0 6/20 0.52
CA3 P07451 5/20 0.52
CA4 P22748 5/20 0.52
CA5A P35218 5/20 0.52
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL701166 0.84 CA9 (0.48) CA1CA2CA9CA12CA6
SCHEMBL17025704 0.80 CA12 (0.43) CA1CA2CA9CA12CA6
SCHEMBL10787466 0.78 RECQL (0.44) CA1CA2CA9CA12CA6
SCHEMBL7512081 0.75
Potassium SCHEMBL31427541 0.72
SCHEMBL31427537 0.72
Sulfamate SCHEMBL18544358 0.72 CA9 (0.59) CA1CA2CA9CA12CA6
SCHEMBL11593779 0.72 CA2 (0.88) CA1CA2CA9CA12CA6
SCHEMBL11593067 0.72 CA1 (1.00) CA1CA2CA9CA12CA6
SCHEMBL1146102 0.71 CA2 (0.52) CA1CA2CA9CA12CA6

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-116023281-A Hydroxyalkyl tertiary amine sulfamate, crystal, preparation method and application thereof 南京红宝丽醇胺化学有限公司 2023-04-28 CN claimed
CN-116023281-A Hydroxyalkyl tertiary amine sulfamate, crystal, preparation method and application thereof 南京红宝丽醇胺化学有限公司 2023-04-28 CN disclosed