SCHEMBL6538422

SCHEMBL6538422

C#Cc1[nH]cnc1C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
PYGB P11216 5/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL175438 1.00 AKR1B1 (0.46) AKR1B1CA1CA2CA9PYGB
SCHEMBL1980707 1.00 AKR1B1 (0.46) AKR1B1CA1CA2CA9PYGB
SCHEMBL9757541 0.89 AKR1B1 (0.45) AKR1B1CA1CA2CA9PYGB
SCHEMBL9757745 0.84 AKR1B1 (0.43) AKR1B1CA1CA2CA9PYGB
SCHEMBL3810831 0.83 CA1 (0.50) AKR1B1CA1CA2CA9PYGB
SCHEMBL9616492 0.83 CA1 (0.50) AKR1B1CA1CA2CA9PYGB
SCHEMBL18642492 0.83 CA1 (0.50) AKR1B1CA1CA2CA9PYGB
SCHEMBL7253811 0.83 CA1 (0.50) AKR1B1CA1CA2CA9PYGB
SCHEMBL6934741 0.83 CA1 (0.50) AKR1B1CA1CA2CA9PYGB
SCHEMBL5189446 0.83 AKR1B1 (0.53) AKR1B1CA1CA2CA9PYGB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP claimed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO claimed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO claimed
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP disclosed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO disclosed