SCHEMBL11368752

SCHEMBL11368752

O=c1c2cc(S(=O)(=O)O)ccc2n(Cl)c(=O)n1Cl.[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.42
▸ PARP1 P09874 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ PARG Q86W56 4/20 0.37
▸ APEX1 P27695 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ TAS2R14 Q9NYV8 3/20 0.35
▸ USP2 O75604 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL11355450 1.00 PIK3CG (0.42) PIK3CGPARP1ALDH1A1HSD17B10CYP2C9
SCHEMBL11368744 0.98 PIK3CG (0.41) PIK3CGPARP1ALDH1A1HSD17B10CYP2C9
SCHEMBL11352434 0.87 PARP1 (0.39) PIK3CGPARP1ALDH1A1HSD17B10CYP2C9
SCHEMBL11359340 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL11368747 0.83 PIK3CG (0.42) PIK3CGPARGTDP1PKMHTT
SCHEMBL11356714 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL6390356 0.75 PIK3CG (0.72) PIK3CGALDH1A1PARGPKMHTT
Hydrochloric Acid SCHEMBL28174265 0.74 PIK3CG (0.70) PIK3CGALDH1A1PARGPKMHTT
Hydrochloric Acid SCHEMBL28173421 0.71 PARG (0.60) ALDH1A1PARGTSHR
SCHEMBL20855010 0.69 PIK3CG (0.47) PIK3CGALDH1A1HSD17B10CYP2C9CYP2C19

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
US-4267325-A Bleaching agents CADBURY-SCHWEPPES LIMITED (GB) 1981-05-12 — — US disclosed
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