SCHEMBL28465619

SCHEMBL28465619

COc1c(C)cc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc1C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 19/20 0.73
IDO1 P14902 1/20 0.57
TDO2 P48775 1/20 0.57

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
SCHEMBL28169405 0.91 FBP1 (0.81) FBP1IDO1TDO2
SCHEMBL28168841 0.88 FBP1 (0.83) FBP1
SCHEMBL28455694 0.88 FBP1 (0.57) FBP1
SCHEMBL28467675 0.87 FBP1 (0.85) FBP1IDO1TDO2
SCHEMBL28467804 0.86 FBP1 (0.79) FBP1
SCHEMBL28471058 0.84 FBP1 (1.00) FBP1
SCHEMBL28470036 0.84 FBP1 (1.00) FBP1IDO1TDO2
SCHEMBL28899858 0.84 FBP1 (0.75) FBP1
SCHEMBL28465593 0.83 FBP1 (0.72) FBP1
SCHEMBL28168913 0.83 FBP1 (1.00) 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 1 patent. 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