SCHEMBL11466792

SCHEMBL11466792

O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(Cl)cc2)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.62
▸ ALPI P09923 3/20 0.62
▸ HPGD P15428 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ VCAM1 P19320 13/20 0.56
▸ APEX1 P27695 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPBWR1 P48145 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL11459161 0.89 ALPL (0.66) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL11448700 0.89 ALPL (0.60) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL11456478 0.89 ALPL (0.63) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL7179842 0.88 VCAM1 (0.62) ALPLALPIVCAM1APEX1TDP1
SCHEMBL11458611 0.88 VCAM1 (0.56) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL11448389 0.86 SMN1; SMN2 (0.60) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL11449140 0.85 ALPL (0.59) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL11458758 0.85 APEX1 (0.61) ALPLALPIHPGDSMN1; SMN2L3MBTL1
SCHEMBL11450417 0.85 CYP1A2 (0.61) ALPLALPISMN1; SMN2VCAM1NPBWR1
SCHEMBL11449208 0.85 ALPL (0.68) 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 3 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-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 — — 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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