SCHEMBL6203263

SCHEMBL6203263

[CH2]S(=O)(=O)N(C)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
MCOLN3 Q8TDD5 1/20 0.61
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.46
C5AR1 P21730 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL2100300 0.79 CA12 (0.52) MAPTMCOLN3CA12CA9TSHR
SCHEMBL3467608 0.79 MAPT (0.63) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL10285578 0.77 MAPT (0.61) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL10192055 0.76 MAPT (0.59) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL2008337 0.76 MAPT (1.00) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL3467610 0.74 MAPT (0.57) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL14212101 0.74 MAPT (0.57) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL10192141 0.74 MAPT (0.57) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL10192209 0.72 MAPT (0.55) MAPTMCOLN3CA12CA9ALDH1A1
SCHEMBL10192213 0.71 MAPT (0.53) MAPTMCOLN3CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed