SCHEMBL6894085

SCHEMBL6894085

O=C(O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 1.00
AKR1B10 O60218 1/20 0.75
AKR1A1 P14550 1/20 0.75
GLO1 Q04760 1/20 0.75

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
SCHEMBL1589816 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL1590415 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9676931 0.87 AKR1B1 (0.77) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL49012 0.85 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL29353641 0.85 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL8505122 0.85 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL8129027 0.85 AKR1B1 (0.98) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9740879 0.84 AKR1B1 (0.77) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL10586788 0.83 AKR1B1 (1.00) AKR1B1
SCHEMBL9323667 0.82 AKR1B1 (0.80) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880964-B1 Aldose reductase inhibition in preventing or reversing diabetic cardiomyopathy PFIZER (US) 2004-09-29 EP claimed
US-5990111-A ADMINISTERING AN ALDOSE REDUCTASE INHIBITOR TO A HUMAN SUBJECT TO TREAT DIABETIC CARDIOMYOPATHY PFIZER INC. (US) 1999-11-23 US claimed
EP-0880964-A2 Aldose reductase inhibition in preventing or reversing diabetic cardiomyopathy PFIZER INC. (US) 1998-12-02 EP claimed
EP-0880964-B1 Aldose reductase inhibition in preventing or reversing diabetic cardiomyopathy PFIZER (US) 2004-09-29 EP disclosed
US-5990111-A ADMINISTERING AN ALDOSE REDUCTASE INHIBITOR TO A HUMAN SUBJECT TO TREAT DIABETIC CARDIOMYOPATHY PFIZER INC. (US) 1999-11-23 US disclosed
EP-0880964-A2 Aldose reductase inhibition in preventing or reversing diabetic cardiomyopathy PFIZER INC. (US) 1998-12-02 EP disclosed
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 EP disclosed
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 US disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed