SCHEMBL6824736

SCHEMBL6824736

O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)C=Cc4ccc(Br)cc4)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 20/20 1.00

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
SCHEMBL6818389 1.00 HPSE (1.00) HPSE
SCHEMBL6821359 0.90 HPSE (1.00) HPSE
SCHEMBL7132205 0.90 HPSE (1.00) HPSE
SCHEMBL6919360 0.89 HPSE (0.80) HPSE
SCHEMBL6822286 0.88 HPSE (0.79) HPSE
SCHEMBL6918186 0.88 HPSE (0.79) HPSE
SCHEMBL6821029 0.88 HPSE (1.00) HPSE
SCHEMBL29424176 0.88 HPSE (1.00) HPSE
SCHEMBL20280936 0.88 HPSE (1.00) HPSE
SCHEMBL6919739 0.87 HPSE (0.77) 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