SCHEMBL7542039

SCHEMBL7542039

CC=NOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ MPI P34949 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.45
▸ GAA P10253 4/20 0.45
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA3 P07451 1/20 0.42

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
SCHEMBL29993364 0.90 KMT2A (0.47) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL213297 0.82 MAPT (0.47) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL213296 0.82 MAPT (0.47) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL4743743 0.80 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL10984538 0.79 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL11310744 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL3279914 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL7626647 0.76 BCHE (0.46) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL6474700 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1
SCHEMBL14164367 0.75 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912536-B1 TAXANE HYDROXY MONOACYLATION METHOD AVENTIS PHARMA SA (FR) 2002-06-05 — — EP claimed
EP-0912536-A1 TAXANE HYDROXY MONOACYLATION METHOD Aventis Pharma S.A. (FR) 1999-05-06 — — EP claimed
WO-1998001435-A1 TAXANE HYDROXY MONOACYLATION METHOD RHONE-POULENC RORER S.A. (FR) 1998-01-15 — — WO claimed
EP-0912536-B1 TAXANE HYDROXY MONOACYLATION METHOD AVENTIS PHARMA SA (FR) 2002-06-05 — — EP disclosed
EP-0912536-A1 TAXANE HYDROXY MONOACYLATION METHOD Aventis Pharma S.A. (FR) 1999-05-06 — — EP disclosed
WO-1998001435-A1 TAXANE HYDROXY MONOACYLATION METHOD RHONE-POULENC RORER S.A. (FR) 1998-01-15 — — WO disclosed
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