SCHEMBL3133674

SCHEMBL3133674

CC(C)COC(=O)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KIT P10721 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
SLC18A2 Q05940 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3134403 0.86 TP53 (0.57) L3MBTL1HTTGAATDP1ALDH1A1
SCHEMBL27480522 0.82 HTT (0.71) L3MBTL1HTTGAAMEN1KMT2A
SCHEMBL12206732 0.79 KMT2A (0.50) L3MBTL1HTTGAAMEN1KMT2A
SCHEMBL8921640 0.79 RAB9A (0.45) HTTMEN1KMT2APOLBTDP1
SCHEMBL1726189 0.78 HRH2 (0.45) L3MBTL1HTTGAAMEN1KMT2A
SCHEMBL12233216 0.78 RAB9A (0.51) L3MBTL1HTTMEN1KMT2APOLB
SCHEMBL5407237 0.78 MEN1 (0.52) L3MBTL1HTTMEN1KMT2APOLB
SCHEMBL31224515 0.78 HTT (0.54) L3MBTL1HTTGAAMEN1KMT2A
SCHEMBL5675565 0.77 RAB9A (0.47) HTTMEN1KMT2APOLBKIT
SCHEMBL22597880 0.77 RAB9A (0.47) HTTGAAMEN1KMT2APOLB

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
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed