Sugi Predict

Sugi Predict / Compounds / SCHEMBL9937441

SCHEMBL9937441

SCHEMBL9937441

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HK1 P19367 16/20 1.00
▸ HK2 P52789 16/20 1.00
▸ GCK P35557 1/20 0.75
▸ KAT6A Q92794 3/20 0.48
▸ BCL2L1 Q07817 1/20 0.44
▸ MCL1 Q07820 1/20 0.44

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
SCHEMBL9937446 1.00 HK1 (1.00) HK1HK2GCKKAT6ABCL2L1
SCHEMBL9938423 0.88 HK2 (0.80) HK1HK2GCK
SCHEMBL9938427 0.88 HK2 (0.80) HK1HK2GCK
SCHEMBL9938663 0.85 HK1 (0.73) HK1HK2GCKKAT6ABCL2L1
SCHEMBL9938660 0.84 HK1 (0.72) HK1HK2GCKKAT6ABCL2L1
SCHEMBL9971331 0.82 HK1 (0.73) HK1HK2GCK
SCHEMBL9937695 0.79 HK1 (0.69) HK1HK2GCK
SCHEMBL9937688 0.79 HK1 (0.69) HK1HK2GCK
SCHEMBL9938774 0.76 HK1 (0.60) HK1HK2GCK
SCHEMBL9938769 0.76 HK1 (0.60) HK1HK2GCK

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