SCHEMBL28455653

SCHEMBL28455653

CCOC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)c(Cl)c3)ccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 18/20 0.54
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46

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
SCHEMBL28458037 0.88 FBP1 (0.67) FBP1IDO1TDO2
SCHEMBL28458060 0.88 FBP1 (0.58) FBP1
SCHEMBL29865448 0.87 IDO1 (0.56) FBP1IDO1TDO2
SCHEMBL28844719 0.87 IDO1 (0.61) FBP1IDO1TDO2
SCHEMBL29865455 0.87 IDO1 (0.61) FBP1IDO1TDO2
SCHEMBL28463651 0.87 IDO1 (0.56) FBP1IDO1TDO2
SCHEMBL28467739 0.85 FBP1 (0.65) FBP1
SCHEMBL28467713 0.85 FBP1 (0.56) FBP1IDO1TDO2
SCHEMBL28463287 0.84 FBP1 (0.66) FBP1
SCHEMBL28459973 0.84 FBP1 (0.63) 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