SCHEMBL11841583

SCHEMBL11841583

CC(C)COc1ccc(S(=O)(=O)Oc2ccc(N)c(N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 3/20 0.42
▸ TRIM24 O15164 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ XDH P47989 1/20 0.40
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL11448192 0.92 GAA (0.42) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11622460 0.85 ALDH1A1 (0.44) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11848703 0.82 CA1 (0.56) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11844829 0.82 CA12 (0.56) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11081800 0.81 TDP1 (0.47) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11844196 0.81 FFAR4 (0.43) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11448446 0.80 ALDH1A1 (0.47) GAATDP1L3MBTL1LMNAHTT
SCHEMBL11852879 0.79 MEN1 (0.56) TDP1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL11844234 0.79 TDP1 (0.62) GAAMAPK1TDP1L3MBTL1LMNA
SCHEMBL11082558 0.78 L3MBTL1 (0.47) GAAMAPK1TDP1L3MBTL1LMNA

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-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
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