SCHEMBL7511047

SCHEMBL7511047

O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Br)cc21

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 20/20 0.86
AKR1B1 P15121 20/20 0.86

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
SCHEMBL445833 0.93 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL443930 0.91 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL443358 0.89 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL445827 0.89 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL419032 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL29387869 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL445068 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL2099099 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL6103908 0.87 AKR1A1 (0.98) AKR1A1AKR1B1
SCHEMBL444091 0.86 AKR1A1 (1.00) AKR1A1AKR1B1

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
US-6426344-B2 INDOLEALKANOIC ACID DERIVATIVES INHIBITS ALDOSE REDUCTASE AND USEFUL FOR TREATING CHRONIC COMPLICATION ASSOCIATED WITH DIABETES MELLITUS INCLUDING DIABETIC CATARACTS, RETINOPATHY, NEPHROPATHY AND NEUROPATHY THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-30 US claimed