SCHEMBL28844859

SCHEMBL28844859

CCOC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(Br)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.61
TDO2 P48775 16/20 0.61
ALOX15 P16050 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MMP13 P45452 1/20 0.41
CNR1 P21554 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
SCHEMBL29865141 1.00 IDO1 (0.61) IDO1TDO2ALOX15EGFRERBB2
SCHEMBL28463699 0.91 IDO1 (0.64) IDO1TDO2ALOX15EGFRERBB2
SCHEMBL29865146 0.91 IDO1 (0.64) IDO1TDO2ALOX15EGFRERBB2
SCHEMBL28467705 0.90 IDO1 (0.76) IDO1TDO2ALOX15EGFRERBB2
SCHEMBL29865145 0.90 IDO1 (0.76) IDO1TDO2ALOX15EGFRERBB2
SCHEMBL28461275 0.90 IDO1 (0.63) IDO1TDO2ALOX15EGFRERBB2
SCHEMBL29865034 0.87 IDO1 (0.79) IDO1TDO2ALOX15
SCHEMBL29865018 0.87 IDO1 (0.60) IDO1TDO2ALOX15EGFR
SCHEMBL28844623 0.87 IDO1 (0.79) IDO1TDO2ALOX15
SCHEMBL28844580 0.87 IDO1 (0.60) IDO1TDO2ALOX15EGFRERBB2

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