SCHEMBL11352434

SCHEMBL11352434

O=c1c2ccc(S(=O)(=O)O)cc2n(Cl)c(=O)n1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ CASP6 P55212 4/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ APEX1 P27695 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL11368752 0.87 PIK3CG (0.42) PARP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11355450 0.87 PIK3CG (0.42) PARP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11368744 0.85 PIK3CG (0.41) PARP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11359340 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11356714 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6389543 0.75 PIK3CG (0.55) ALDH1A1HSD17B10CYP2C19HPGDLMNA
SCHEMBL11368747 0.70 PIK3CG (0.42) TDP1LMNATSHRKMT2APIK3CG
SCHEMBL2984147 0.67 KDM4E (0.62) ALDH1A1HSD17B10HPGDLMNAKMT2A
SCHEMBL17243961 0.66 ALDH1A1 (0.61) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6390356 0.66 PIK3CG (0.72) ALDH1A1LMNAKDM4EPIK3CGSMN1; SMN2

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

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