SCHEMBL11450010

SCHEMBL11450010

CC(C)COc1ccc(OS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.56
▸ ALPI P09923 3/20 0.56
▸ VCAM1 P19320 15/20 0.51
▸ APEX1 P27695 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11448446 0.86 ALDH1A1 (0.47) ALPLALPIALDH1A1HPGDSMN1; SMN2
SCHEMBL11450274 0.84 ALPL (0.57) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL11450339 0.84 VCAM1 (0.59) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL11449140 0.84 ALPL (0.59) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL11459161 0.82 ALPL (0.66) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL11456478 0.82 ALPL (0.63) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL11466792 0.82 ALPL (0.62) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL11448700 0.80 ALPL (0.60) ALPLALPIVCAM1APEX1ALDH1A1
SCHEMBL7179842 0.79 VCAM1 (0.62) ALPLALPIVCAM1APEX1
SCHEMBL11458758 0.79 APEX1 (0.61) ALPLALPIVCAM1APEX1ALDH1A1

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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