SCHEMBL11809656

SCHEMBL11809656

Nc1cc(S(=O)(=O)O)c(N)c(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
NQO1 P15559 1/20 0.40
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 5/20 0.38
TDP1 Q9NUW8 3/20 0.37
CASP1 P29466 2/20 0.37
CYP2C19 P33261 2/20 0.37
CASP6 P55212 2/20 0.37
CASP7 P55210 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
TSHR P16473 3/20 0.34
NT5E P21589 3/20 0.34
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP2 Q9HC62 2/20 0.34
SENP1 Q9P0U3 2/20 0.34

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
SCHEMBL3290542 0.80 GAA (0.42) ALDH1A1TDP1CYP2C19CYP2C9KDM4E
SCHEMBL1412987 0.79 TTR (0.46) TTRNQO1ALDH1A1HSD17B10TDP1
SCHEMBL2800811 0.79 TTR (0.39) TTRNQO1ALDH1A1HSD17B10TDP1
SCHEMBL9558911 0.77 ALDH1A1 (0.47) TTRNQO1ALDH1A1HSD17B10TDP1
SCHEMBL30225096 0.77 TTR (0.38) TTRNQO1ALDH1A1HSD17B10TDP1
SCHEMBL28992328 0.77 TTR (0.38) TTRNQO1ALDH1A1HSD17B10TDP1
SCHEMBL1128603 0.77 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C19
SCHEMBL31742544 0.77 ALDH1A1 (0.52) TTRALDH1A1HSD17B10TDP1CYP2C19
SCHEMBL28567480 0.77 TTR (0.45) TTRNQO1ALDH1A1HSD17B10TDP1
SCHEMBL9680157 0.76 AURKA (0.47) TTRNQO1ALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116393089-B Sulfur-modified magnetite-loaded biochar material and preparation method and application thereof 浙江大学 2024-11-05 CN claimed
CN-116393089-A Sulfur-modified magnetite-loaded biochar material and preparation method and application thereof 浙江大学 2023-07-07 CN claimed
CN-116393089-B Sulfur-modified magnetite-loaded biochar material and preparation method and application thereof 浙江大学 2024-11-05 CN disclosed
CN-116393089-A Sulfur-modified magnetite-loaded biochar material and preparation method and application thereof 浙江大学 2023-07-07 CN disclosed
US-3985797-A Hydroxylation of aromatic compounds UOP INC. (US) 1976-10-12 US disclosed
US-3985796-A Hydroxylation of aromatic compounds UOP INC. (US) 1976-10-12 US disclosed
US-3931295-A Hydroxylation of aromatic compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-01-06 US disclosed