SCHEMBL28844728

SCHEMBL28844728

O=C(O)c1cc2c(Nc3ccc(F)c(OC(F)(F)F)c3)ccc(F)c2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 1.00
TDO2 P48775 17/20 1.00
FBP1 P09467 3/20 0.50

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
SCHEMBL29865134 1.00 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL29865054 0.89 IDO1 (0.81) IDO1TDO2FBP1
SCHEMBL28844565 0.89 IDO1 (0.81) IDO1TDO2FBP1
SCHEMBL28844775 0.86 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL29865081 0.86 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL29864970 0.86 IDO1 (0.74) IDO1TDO2FBP1
SCHEMBL28844784 0.86 IDO1 (0.74) IDO1TDO2FBP1
SCHEMBL28953330 0.83 IDO1 (0.79) IDO1TDO2FBP1
SCHEMBL29864888 0.83 IDO1 (0.79) IDO1TDO2FBP1
SCHEMBL29864912 0.80 IDO1 (1.00) 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 1 patent. 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