SCHEMBL28546119

SCHEMBL28546119

CCCCCCCCCCCCc1ccc(S(=O)(=O)NC(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.58
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ AKT1 P31749 10/20 0.51
▸ GAB1 Q13480 3/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ AKT2 P31751 1/20 0.51
▸ AKT3 Q9Y243 1/20 0.51
▸ IRS1 P35568 1/20 0.51
▸ HAO1 Q9UJM8 1/20 0.50
▸ GHSR Q92847 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL26965400 0.81 CA2 (0.64) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL14341518 0.81 GAA (0.51) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL14341521 0.81 GAA (0.51) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL11557623 0.80 CA1 (0.58) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL28414948 0.80 CA2 (0.67) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL10926573 0.80 CA2 (0.62) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL8671802 0.79 CA12 (0.67) CA2CA12CA1CA9GHSR
SCHEMBL13254478 0.79 EPHX1 (0.49) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL38662674 0.78 LMNA (0.74) CA2SMN1; SMN2LMNAHTTAKT1
SCHEMBL38662567 0.78 LMNA (0.74) CA2SMN1; SMN2LMNAHTTAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112472822-B Construction and application of endoplasmic reticulum targeted nano drug delivery system 浙江大学 2022-05-27 — — CN claimed
CN-112472822-B Construction and application of endoplasmic reticulum targeted nano drug delivery system 浙江大学 2022-05-27 — — CN disclosed
CN-112472822-A Construction and application of endoplasmic reticulum targeted nano drug delivery system 浙江大学 2021-03-12 — — CN disclosed
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