SCHEMBL8314811

SCHEMBL8314811

C[C@H](N)C(=O)N(N)C(=O)C1CC2(NC(=O)NC2=O)c2cc(F)ccc2O1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.70
AKR1B10 O60218 2/20 0.70
AKR1A1 P14550 2/20 0.70
MAPT P10636 1/20 0.47

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
SCHEMBL8313631 0.89 AKR1B1 (0.74) AKR1B1AKR1B10AKR1A1MAPT
SCHEMBL9668837 0.85 AKR1B1 (0.76) AKR1B1AKR1B10AKR1A1MAPT
SCHEMBL9669362 0.85 AKR1B1 (0.76) AKR1B1AKR1B10AKR1A1MAPT
SCHEMBL8312028 0.84 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1MAPT
Fidarestat SCHEMBL48827 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1MAPT
(R,S)-Fidarestat SCHEMBL1219758 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1MAPT
Fidarestat SCHEMBL29546775 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1MAPT
(R,S)-Fidarestat SCHEMBL48828 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1MAPT
(R,S)-Fidarestat SCHEMBL29941924 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1MAPT
(R,S)-Fidarestat SCHEMBL2855039 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595183-B1 Hydantoin derivatives, salts thereof and maillard reaction inhibitors comprising the same SANWA KAGAKU KENKYUSHO CO (JP) 1999-08-25 EP claimed
EP-0595183-B1 Hydantoin derivatives, salts thereof and maillard reaction inhibitors comprising the same SANWA KAGAKU KENKYUSHO CO (JP) 1999-08-25 EP disclosed