SCHEMBL6920173

SCHEMBL6920173

O=C(O)Cc1ccc2oc(-c3ccc(NCC=Cc4ccc(Br)cc4)c(F)c3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 20/20 0.76

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
SCHEMBL6921476 0.94 HPSE (0.67) HPSE
SCHEMBL6918096 0.89 HPSE (0.77) HPSE
SCHEMBL6919739 0.88 HPSE (0.77) HPSE
SCHEMBL6920601 0.87 HPSE (0.62) HPSE
SCHEMBL29424176 0.86 HPSE (1.00) HPSE
SCHEMBL20280936 0.86 HPSE (1.00) HPSE
SCHEMBL6821029 0.86 HPSE (1.00) HPSE
SCHEMBL6921209 0.86 HPSE (0.76) HPSE
SCHEMBL6916541 0.84 HPSE (0.77) HPSE
SCHEMBL6821869 0.80 HPSE (0.89) 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