SCHEMBL28616713

SCHEMBL28616713

CC(N)C(N)(N)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TSHR P16473 1/20 0.30
NT5E P21589 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL6843362 0.76 TP53 (0.32) TP53
Sulfuric Acid SCHEMBL17673121 0.72 TP53 (0.38) TP53CA1CA2TSHRNT5E
SCHEMBL1179454 0.72 TP53 (0.33) TP53CA1CA2TSHRNT5E
SCHEMBL4805526 0.72 TP53 (0.33) TP53CA1CA2TSHRNT5E
SCHEMBL20873470 0.72 TP53 (0.34) TP53
SCHEMBL26187642 0.70 TP53 (0.38) TP53
Trifluoromethanesulfonic Acid SCHEMBL8817892 0.69 CA1 (0.40) TP53CA1CA2TSHRNT5E
Sulfuric Acid SCHEMBL8776106 0.68
Sulfuric Acid SCHEMBL833019 0.68 CA5A (0.50) TP53CA1CA2TSHRNT5E
Sulfuric Acid SCHEMBL833021 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113332242-B Permeation-promoting biological factor nano-emulsion 杭州隽和文化艺术有限公司 2022-10-14 CN claimed
CN-113332242-A Permeation-promoting biological factor nano-emulsion 杭州隽和生物医药有限公司 2021-09-03 CN claimed
CN-113332242-B Permeation-promoting biological factor nano-emulsion 杭州隽和文化艺术有限公司 2022-10-14 CN disclosed
CN-113332242-A Permeation-promoting biological factor nano-emulsion 杭州隽和生物医药有限公司 2021-09-03 CN disclosed