SCHEMBL28844591

SCHEMBL28844591

CCOC(=O)c1cc2c(Nc3ccc(F)c([N+](=O)[O-])c3)cc(C)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.54
TDO2 P48775 13/20 0.54
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
FBP1 P09467 2/20 0.41
MMP13 P45452 1/20 0.40

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
SCHEMBL28953327 0.87 IDO1 (0.70) IDO1TDO2FBP1
SCHEMBL29865025 0.87 IDO1 (0.70) IDO1TDO2FBP1
SCHEMBL28467705 0.84 IDO1 (0.76) IDO1TDO2ALDH1A1MMP13
SCHEMBL28844632 0.84 IDO1 (0.58) IDO1TDO2ALDH1A1FBP1MMP13
SCHEMBL29865059 0.84 IDO1 (0.58) IDO1TDO2ALDH1A1FBP1MMP13
SCHEMBL29865145 0.84 IDO1 (0.76) IDO1TDO2ALDH1A1MMP13
SCHEMBL29865182 0.81 TDO2 (0.57) IDO1TDO2
SCHEMBL28953333 0.81 TDO2 (0.57) IDO1TDO2
SCHEMBL28463699 0.77 IDO1 (0.64) IDO1TDO2FBP1MMP13
SCHEMBL29865146 0.77 IDO1 (0.64) IDO1TDO2FBP1MMP13

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