SCHEMBL11448192

SCHEMBL11448192

CC(C)COc1ccc(OS(=O)(=O)c2ccc(N)c(N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TRIM24 O15164 2/20 0.40
▸ XDH P47989 1/20 0.40
▸ APEX1 P27695 1/20 0.39
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL11841583 0.92 GAA (0.47) GAAMAPK1LMNATDP1L3MBTL1
SCHEMBL11448446 0.85 ALDH1A1 (0.47) GAALMNATDP1L3MBTL1MAPT
SCHEMBL11520762 0.82 NPC1 (0.50) GAAMAPK1LMNACA1CA2
SCHEMBL11467050 0.82 CA12 (0.56) GAAMAPK1LMNATDP1L3MBTL1
SCHEMBL11458885 0.82 CA1 (0.56) GAAMAPK1LMNATDP1L3MBTL1
SCHEMBL11448847 0.81 FFAR4 (0.43) GAALMNATDP1L3MBTL1APEX1
SCHEMBL11622460 0.80 ALDH1A1 (0.44) GAAMAPK1LMNATDP1L3MBTL1
SCHEMBL11458859 0.79 LMNA (0.54) GAALMNATDP1L3MBTL1APEX1
SCHEMBL11448401 0.79 CA2 (0.51) GAALMNATDP1L3MBTL1APEX1
SCHEMBL11450004 0.76 TDP1 (0.57) GAATDP1L3MBTL1APEX1CA1

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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