SCHEMBL10984538

SCHEMBL10984538

Cc1ccc(S(=O)(=O)O[N]OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ MPI P34949 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CA6 P23280 1/20 0.48

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
SCHEMBL11310744 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL6474700 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL7542039 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL11528365 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL28706040 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL91998 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL2535039 0.79 GAA (0.54) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL7186972 0.78 GAA (0.59) ALDH1A1SMN1; SMN2HTTLMNAMAPK1
SCHEMBL6490 0.78 GAA (0.59) ALDH1A1SMN1; SMN2HTTMAPTGAA
SCHEMBL13673554 0.78 F2 (0.55) ALDH1A1SMN1; SMN2HTTLMNAMAPK1

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-4558043-A Heterocyclicamino containing benzofurans and 2,3-dihydrobenzofurans, compositions and use CIBA GEIGY CORPORATION (US) 1985-12-10 — — US disclosed
Send feedback