SCHEMBL4536291

SCHEMBL4536291

O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC2(CC1)CN(C1CC1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
FASN P49327 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HTR2B P41595 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 3/20 0.42
EBP Q15125 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41
PKLR P30613 1/20 0.41
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL4541301 0.81 FASN (0.68) MGLLKDM4EL3MBTL1FASNGAA
SCHEMBL25372233 0.77 SMN1; SMN2 (0.48) MGLLKDM4EL3MBTL1GAAALDH1A1
SCHEMBL4540780 0.76 FASN (0.68) KDM4EL3MBTL1FASNALDH1A1SMN1; SMN2
SCHEMBL26025565 0.74 PKM (0.49) KDM4EL3MBTL1GAAALDH1A1CYP2D6
SCHEMBL4538282 0.73 FASN (0.76) MGLLL3MBTL1FASNALDH1A1SMN1; SMN2
SCHEMBL18418150 0.72 MGLL (0.59) MGLLKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL18446300 0.71 MGLL (0.70) MGLLL3MBTL1ALDH1A1MEN1MAPK1
SCHEMBL4540739 0.71 CNR1 (0.38) KDM4EL3MBTL1FASNALDH1A1PKM
SCHEMBL26025709 0.70 PKM (0.50) KDM4EL3MBTL1GAAALDH1A1CYP2D6
SCHEMBL25369903 0.70 MGLL (0.41) MGLLKDM4EL3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP claimed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO claimed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed