SCHEMBL11356714

SCHEMBL11356714

O=c1c(=O)n(Cl)c2cc(S(=O)(=O)O)ccc2n1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ TSHR P16473 3/20 0.36
▸ NT5E P21589 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CASP6 P55212 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL11359340 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10APEX1LMNAKDM4E
SCHEMBL11352434 0.77 PARP1 (0.39) ALDH1A1HSD17B10APEX1LMNAKDM4E
SCHEMBL11368752 0.77 PIK3CG (0.42) ALDH1A1HSD17B10APEX1LMNATSHR
SCHEMBL11355450 0.77 PIK3CG (0.42) ALDH1A1HSD17B10APEX1LMNATSHR
SCHEMBL11368744 0.76 PIK3CG (0.41) ALDH1A1HSD17B10APEX1LMNATDP1
SCHEMBL2984147 0.74 KDM4E (0.62) ALDH1A1HSD17B10LMNAKDM4EHPGD
Hydrochloric Acid SCHEMBL27811147 0.73 KDM4E (0.60) ALDH1A1HSD17B10LMNAKDM4EHPGD
SCHEMBL8506309 0.67 PARG (0.50) ALDH1A1HSD17B10APEX1LMNAKDM4E
SCHEMBL20855010 0.66 PIK3CG (0.47) ALDH1A1HSD17B10APEX1LMNAKDM4E
SCHEMBL150334 0.64 LMNA (0.77) ALDH1A1HSD17B10LMNAKDM4ETSHR

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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