SCHEMBL1982939

SCHEMBL1982939

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.71
MAPT P10636 1/20 0.71
AKR1A1 P14550 1/20 0.71
AKR1B1 P15121 1/20 0.71

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
SCHEMBL24697564 0.89 AKR1B1 (0.59) AKR1B10MAPTAKR1A1AKR1B1
Sorbinil SCHEMBL2108408 0.83 AKR1B10 (1.00) AKR1B10MAPTAKR1A1AKR1B1
Sorbinil SCHEMBL17223865 0.83 AKR1B10 (1.00) AKR1B10MAPTAKR1A1AKR1B1
Sorbinil SCHEMBL9790028 0.83 AKR1B10 (1.00) AKR1B10MAPTAKR1A1AKR1B1
SCHEMBL11342164 0.83 AKR1B1 (0.71) AKR1B10MAPTAKR1A1AKR1B1
SCHEMBL10921763 0.83 AKR1B1 (0.71) AKR1B10MAPTAKR1A1AKR1B1
Sorbinil SCHEMBL29599732 0.83 AKR1B10 (1.00) AKR1B10MAPTAKR1A1AKR1B1
SCHEMBL10923913 0.83 AKR1B1 (0.71) AKR1B10MAPTAKR1A1AKR1B1
Sorbinil SCHEMBL48877 0.83 AKR1B10 (1.00) AKR1B10MAPTAKR1A1AKR1B1
SCHEMBL1978795 0.82 AKR1B1 (0.70) AKR1B10MAPTAKR1A1AKR1B1

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 7 patents. 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
US-4282229-A FOR DIABETIC COMPLICATIONS PFIZER INC. (US) 1981-08-04 US disclosed
US-4258054-A ANTIDIABETIC PFIZER INC. (US) 1981-03-24 US disclosed
US-4210756-A Tetrahydroquinoline hydantoins for chronic diabetic complications PFIZER INC. (US) 1980-07-01 US disclosed
US-4209630-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 US disclosed