SCHEMBL28463262

SCHEMBL28463262

O=C(O)c1cc2c(Nc3ccc([N+](=O)[O-])cc3)ccc([N+](=O)[O-])c2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 17/20 1.00
IDO1 P14902 3/20 0.49
TDO2 P48775 3/20 0.49

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
SCHEMBL28168955 0.90 FBP1 (0.82) FBP1
SCHEMBL28168839 0.89 FBP1 (0.81) FBP1IDO1TDO2
SCHEMBL28471058 0.89 FBP1 (1.00) FBP1
SCHEMBL28457814 0.89 FBP1 (0.81) FBP1IDO1TDO2
SCHEMBL28465567 0.87 FBP1 (0.78) FBP1
SCHEMBL28169280 0.87 FBP1 (0.77) FBP1IDO1TDO2
SCHEMBL28469940 0.86 FBP1 (1.00) FBP1IDO1TDO2
SCHEMBL28467804 0.86 FBP1 (0.79) FBP1
SCHEMBL28169281 0.86 FBP1 (0.76) FBP1IDO1TDO2
SCHEMBL28457731 0.85 FBP1 (0.74) FBP1IDO1TDO2

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