SCHEMBL7188560

SCHEMBL7188560

NCC(=Cc1ccc(Br)cc1F)COc1ccc(-c2nc3cc(CC(=O)O)ccc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 18/20 0.51
AOC3 Q16853 2/20 0.48

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
SCHEMBL9820079 0.72 HPSE (0.72) HPSE
Methane SCHEMBL506232 0.71 HPSE (0.70) HPSE
SCHEMBL6918186 0.71 HPSE (0.79) HPSE
SCHEMBL6822286 0.71 HPSE (0.79) HPSE
SCHEMBL5461475 0.70 HPSE (0.72) HPSE
Methane SCHEMBL5476423 0.69 HPSE (0.70) HPSE
SCHEMBL507169 0.69 KDM4E (0.77) HPSE
SCHEMBL6920173 0.68 HPSE (0.76) HPSE
SCHEMBL11626342 0.68 HPSE (0.72) HPSE
SCHEMBL6920601 0.67 HPSE (0.62) 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