SCHEMBL28467804

SCHEMBL28467804

COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 19/20 0.79
MAPT P10636 1/20 0.60

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
SCHEMBL28168841 0.91 FBP1 (0.83) FBP1MAPT
SCHEMBL28168913 0.89 FBP1 (1.00) FBP1
SCHEMBL28471058 0.88 FBP1 (1.00) FBP1MAPT
SCHEMBL28470036 0.87 FBP1 (1.00) FBP1
SCHEMBL28469938 0.87 FBP1 (0.73) FBP1
SCHEMBL28899858 0.87 FBP1 (0.75) FBP1
SCHEMBL28898873 0.87 FBP1 (0.64) FBP1
SCHEMBL28463262 0.86 FBP1 (1.00) FBP1
SCHEMBL28461379 0.86 FBP1 (0.73) FBP1MAPT
SCHEMBL28465593 0.86 FBP1 (0.72) FBP1

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
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
CN-107098846-A N- acyl sulfonamides class FBPase inhibitor, its preparation method, pharmaceutical composition and purposes 中国医学科学院药物研究所 2017-08-29 CN disclosed