SCHEMBL6920469

SCHEMBL6920469

O=C(O)Cc1ccc2nc(-c3ccc(NCC=Cc4ccc(Br)cc4)cc3Cl)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 20/20 0.66

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
SCHEMBL6821833 0.86 HPSE (0.87) HPSE
SCHEMBL6919739 0.80 HPSE (0.77) HPSE
SCHEMBL6821823 0.80 HPSE (1.00) HPSE
SCHEMBL6821821 0.80 HPSE (1.00) HPSE
SCHEMBL7068464 0.78 HPSE (0.90) HPSE
SCHEMBL6821264 0.78 HPSE (0.73) HPSE
Methane SCHEMBL11178455 0.73 HDAC3 (0.53) HPSE
SCHEMBL6920173 0.72 HPSE (0.76) HPSE
SCHEMBL6821297 0.71 HPSE (1.00) HPSE
SCHEMBL7063577 0.71 HPSE (0.83) 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