SCHEMBL11450274

SCHEMBL11450274

CCCOc1ccc(OS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.57
▸ ALPI P09923 3/20 0.57
▸ VCAM1 P19320 14/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.49
▸ APEX1 P27695 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL11450339 0.95 VCAM1 (0.59) ALPLALPIVCAM1ALDH1A1APEX1
SCHEMBL11448846 0.85 MAPT (0.59) ALPLALPIALDH1A1MAPTCA12
SCHEMBL11450010 0.84 ALPL (0.56) ALPLALPIVCAM1ALDH1A1APEX1
SCHEMBL11456478 0.83 ALPL (0.63) ALPLALPIVCAM1ALDH1A1MAPT
SCHEMBL11459161 0.83 ALPL (0.66) ALPLALPIVCAM1ALDH1A1MAPT
SCHEMBL11466792 0.83 ALPL (0.62) ALPLALPIVCAM1ALDH1A1APEX1
SCHEMBL14290088 0.83 MAPT (0.64) VCAM1ALDH1A1MAPT
SCHEMBL11448700 0.81 ALPL (0.60) ALPLALPIVCAM1ALDH1A1APEX1
SCHEMBL11448951 0.81 MAPT (0.52) ALPLALPIVCAM1ALDH1A1MAPT
SCHEMBL7179842 0.80 VCAM1 (0.62) ALPLALPIVCAM1APEX1

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-4216161-A 3,4-Diaminophenyl sulfonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-05 — — US disclosed
US-3996369-A Anthelmintically active 2-carbalkoxyamino benzimidazolyl-5(6)-sulfonic acid phenyl esters HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
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