SCHEMBL9971310

SCHEMBL9971310

C=CCOC1O[C@H](CNS(=O)(=O)c2ccccc2)C[C@H](O)[C@H]1NC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HK1 P19367 8/20 0.56
HK2 P52789 8/20 0.56
GCK P35557 1/20 0.43
KAT6A Q92794 7/20 0.40
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL9971328 0.86 HK1 (0.50) HK1HK2GCK
SCHEMBL9971322 0.86 HK1 (0.45) HK1HK2GCK
SCHEMBL9938660 0.85 HK1 (0.72) HK1HK2GCKKAT6ABCL2L1
SCHEMBL9971335 0.83 HK1 (0.40) HK1HK2GCK
SCHEMBL9971381 0.79 ALDH1A1 (0.41) HK1HK2
SCHEMBL9938276 0.74 HK2 (0.75) HK1HK2GCK
SCHEMBL9938496 0.73 HK1 (0.56) HK1HK2GCK
SCHEMBL9938498 0.73 HK1 (0.56) HK1HK2GCK
SCHEMBL9971386 0.72 HK1 (0.48) HK1HK2GCK
SCHEMBL9937446 0.72 HK1 (1.00) HK1HK2GCKKAT6ABCL2L1

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-2012083145-A1 GLUCOSAMINE DERIVATIVES GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-06-21 WO disclosed