SCHEMBL6822157

SCHEMBL6822157

COc1cc(NC(=O)C=Cc2ccc(Br)cc2F)ccc1-c1nc2cc(CC(=O)O)ccc2o1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 20/20 0.69

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
SCHEMBL6824600 0.85 HPSE (0.82) HPSE
SCHEMBL6918186 0.83 HPSE (0.79) HPSE
SCHEMBL6822286 0.83 HPSE (0.79) HPSE
SCHEMBL7188566 0.82 HPSE (0.49) HPSE
SCHEMBL6821856 0.81 HPSE (1.00) HPSE
SCHEMBL6919633 0.80 HPSE (1.00) HPSE
SCHEMBL6821838 0.80 HPSE (0.88) HPSE
SCHEMBL6918199 0.78 HPSE (1.00) HPSE
SCHEMBL6822250 0.77 HPSE (0.86) HPSE
SCHEMBL6821823 0.77 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