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Sugi Predict / Compounds / SCHEMBL6987834

SCHEMBL6987834

SCHEMBL6987834

CC(CCC(CC(C)CS(=O)(=O)Cc1cnc2ccccc2c1)N(C=O)OC(C)(C)C)CC(CSCc1cnc2ccccc2c1)N(C=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30

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
SCHEMBL6608514 0.83 PDE10A (0.37) HIF1AEPAS1
SCHEMBL6404687 0.82 MMP2 (0.30) —
SCHEMBL6606815 0.82 PDE10A (0.36) HIF1AEPAS1
SCHEMBL6399028 0.80 HIF1A (0.35) HIF1AEPAS1
SCHEMBL6607311 0.80 HIF1A (0.36) HIF1AEPAS1
SCHEMBL6400676 0.80 PDE10A (0.34) HIF1AEPAS1
SCHEMBL6608790 0.80 PDE10A (0.34) HIF1AEPAS1
SCHEMBL6404185 0.79 HIF1A (0.31) HIF1AEPAS1
SCHEMBL6606605 0.79 HPGD (0.38) HIF1AEPAS1
SCHEMBL6399798 0.78 HIF1A (0.37) HIF1AEPAS1

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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 — — EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 — — WO disclosed