SCHEMBL1978795

SCHEMBL1978795

O=C1NC(=O)C2(CCOc3ccc(CBr)cc32)N1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.70
AKR1B10 O60218 1/20 0.70
MAPT P10636 1/20 0.70
AKR1A1 P14550 1/20 0.70

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
SCHEMBL1979051 0.87 AKR1B1 (0.53) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL11350687 0.83 AKR1B10 (0.60) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL9790028 0.82 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL29599732 0.82 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL1982939 0.82 AKR1B10 (0.71) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL48877 0.82 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL2108408 0.82 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL17223865 0.82 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10921763 0.80 AKR1B1 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL11342164 0.80 AKR1B1 (0.71) AKR1B1AKR1B10MAPTAKR1A1

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-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed