SCHEMBL28844667

SCHEMBL28844667

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

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.76
TDO2 P48775 10/20 0.76
FBP1 P09467 10/20 0.70

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
SCHEMBL29865129 1.00 IDO1 (0.76) IDO1TDO2FBP1
SCHEMBL28467776 0.92 FBP1 (0.70) IDO1TDO2FBP1
SCHEMBL28168853 0.90 FBP1 (0.74) IDO1TDO2FBP1
SCHEMBL28457731 0.90 FBP1 (0.74) IDO1TDO2FBP1
SCHEMBL28457814 0.88 FBP1 (0.81) IDO1TDO2FBP1
SCHEMBL28465108 0.87 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL29864912 0.87 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL28168839 0.86 FBP1 (0.81) IDO1TDO2FBP1
SCHEMBL28463204 0.86 IDO1 (0.88) IDO1TDO2FBP1
SCHEMBL29865067 0.86 IDO1 (0.88) IDO1TDO2FBP1

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
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