SCHEMBL5724315

SCHEMBL5724315

COc1ccc(NS(=O)(=O)c2c(C)cc(OC(C)=O)cc2C)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5724310 0.89 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5366036 0.84 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5366028 0.84 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6506827 0.83 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6506834 0.83 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5724390 0.82 ALDH1A1 (0.46) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5364442 0.81 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5369496 0.81 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708265 0.77 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6831954 0.77 MAPT (0.71) MAPTSMN1; SMN2MEN1KMT2ALMNA

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
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO disclosed