SCHEMBL7126087

SCHEMBL7126087

O=c1ccc(S(=O)(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 0.64

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
SCHEMBL7126083 0.86 AKR1B1 (0.60) AKR1B1
SCHEMBL6207608 0.80 AKR1B1 (0.91) AKR1B1
SCHEMBL6206594 0.80 AKR1B1 (0.81) AKR1B1
SCHEMBL6205476 0.78 AKR1B1 (1.00) AKR1B1
SCHEMBL6206457 0.78 AKR1B1 (0.74) AKR1B1
SCHEMBL6206866 0.77 AKR1B1 (0.75) AKR1B1
SCHEMBL7295107 0.76 AKR1B1 (1.00) AKR1B1
SCHEMBL6207081 0.76 AKR1B1 (0.91) AKR1B1
SCHEMBL6897167 0.73 AKR1B1 (0.54) AKR1B1
SCHEMBL6206599 0.73 AKR1B1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392310-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS Pfizer Products Inc. (US) 2004-03-03 EP disclosed
WO-2002087584-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 WO disclosed