SCHEMBL28795398

SCHEMBL28795398

Nc1cccc(S(=O)(=O)O)c1.[CaH2]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.96
ALDH1A1 P00352 3/20 0.96
HSD17B10 Q99714 2/20 0.96
TDP1 Q9NUW8 1/20 0.96
LMNA P02545 1/20 0.65
CA2 P00918 3/20 0.63
CA12 O43570 2/20 0.63
CA1 P00915 2/20 0.63
CA4 P22748 2/20 0.63
CA9 Q16790 2/20 0.63
CA14 Q9ULX7 1/20 0.63
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
PKLR P30613 1/20 0.54
NT5E P21589 2/20 0.52
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NSD2 O96028 1/20 0.49

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
SCHEMBL29044 0.98 TSHR (1.00) TSHRALDH1A1HSD17B10TDP1LMNA
SCHEMBL1655356 0.98 TSHR (1.00) TSHRALDH1A1HSD17B10TDP1LMNA
SCHEMBL29973750 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
Ammonia Solution, Strong SCHEMBL3850530 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
SCHEMBL27917280 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
Sulfuric Acid SCHEMBL8641555 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
Lithium SCHEMBL31518347 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
Ammonia Solution, Strong SCHEMBL3850533 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
SCHEMBL28226041 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA
Hydrochloric Acid SCHEMBL28150875 0.96 TSHR (0.96) TSHRALDH1A1HSD17B10TDP1LMNA

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
CN-114656188-A Composite gypsum retarder and preparation method thereof 欣格瑞(山东)环境科技有限公司 2022-06-24 CN disclosed