SCHEMBL8060759

SCHEMBL8060759

COc1ccc(S(=O)(=O)N2CCC(CC(N)=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.64
NPC1 O15118 1/20 0.61
PKLR P30613 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
EPHX2 P34913 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56

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
SCHEMBL7471529 0.80 PKM (0.73) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL28079047 0.80 PKM (0.63) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL3010882 0.80 PKM (0.70) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL4799931 0.80 PKM (0.78) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL23178943 0.79 PKM (0.75) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL8200209 0.78 PKM (0.60) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL31315853 0.78 PKM (1.00) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL1722721 0.78 PKM (1.00) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL4541877 0.77 PKM (0.56) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL7510989 0.77 KMT2A (0.82) PKMALDH1A1HTTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed