SCHEMBL28844754

SCHEMBL28844754

NC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.80
TDO2 P48775 11/20 0.80
PTK6 Q13882 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CNR1 P21554 1/20 0.43
FBP1 P09467 1/20 0.43
EGFR P00533 1/20 0.42
SOS1 Q07889 1/20 0.41
SLC2A1 P11166 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29865139 1.00 IDO1 (0.80) IDO1TDO2PTK6MEN1ALDH1A1
SCHEMBL29864912 0.89 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL28465108 0.89 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL29865055 0.87 IDO1 (0.78) IDO1TDO2PTK6CNR1FBP1
SCHEMBL28844842 0.86 IDO1 (0.69) IDO1TDO2PTK6MEN1ALDH1A1
SCHEMBL29865047 0.86 IDO1 (0.69) IDO1TDO2PTK6MEN1ALDH1A1
SCHEMBL28844829 0.83 IDO1 (0.88) IDO1TDO2FBP1SLC2A1
SCHEMBL28463204 0.83 IDO1 (0.88) IDO1TDO2FBP1
SCHEMBL29865067 0.83 IDO1 (0.88) IDO1TDO2FBP1
SCHEMBL29865086 0.83 IDO1 (0.88) IDO1TDO2FBP1SLC2A1

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