SCHEMBL29915596

SCHEMBL29915596

CC(C)(C)OC(=O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3n2C(=O)O)c(=O)c2nccnc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 19/20 0.43
AKR1B10 O60218 1/20 0.37
AKR1A1 P14550 1/20 0.37
GLO1 Q04760 1/20 0.37

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
SCHEMBL367953 0.94 AKR1B1 (0.41) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL19140389 0.86 AKR1B1 (0.38) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL360713 0.80 AKR1B1 (0.64) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL369867 0.80 AKR1B1 (0.42) AKR1B1
SCHEMBL15206300 0.76 AKR1B1 (0.55) AKR1B1
SCHEMBL10065363 0.75 AKR1B1 (0.51) AKR1B1
SCHEMBL18265843 0.72 AKR1B1 (0.39) AKR1B1
SCHEMBL19726781 0.72 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9374539 0.71 AKR1B1 (0.79) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL362133 0.70 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1GLO1

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-4124620-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2023-02-01 EP disclosed
EP-3597650-B1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2022-09-07 EP disclosed