SCHEMBL6824600

SCHEMBL6824600

COc1cc(NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1-c1nc2cc(CC(=O)O)ccc2o1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 20/20 0.82

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
SCHEMBL6821764 0.90 HPSE (1.00) HPSE
SCHEMBL6822250 0.88 HPSE (0.86) HPSE
SCHEMBL6822157 0.85 HPSE (0.69) HPSE
SCHEMBL6821856 0.78 HPSE (1.00) HPSE
SCHEMBL6818510 0.77 HPSE (1.00) HPSE
SCHEMBL6821823 0.77 HPSE (1.00) HPSE
SCHEMBL6821821 0.77 HPSE (1.00) HPSE
SCHEMBL6821762 0.77 HPSE (0.70) HPSE
SCHEMBL7068464 0.75 HPSE (0.90) HPSE
SCHEMBL6821297 0.75 HPSE (1.00) HPSE

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed