SCHEMBL28119079

SCHEMBL28119079

Nc1sc(Cl)cc1COC=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.32
GSK3B P49841 1/20 0.30

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
SCHEMBL27682011 0.83 GSK3B (0.36) SRCGSK3B
SCHEMBL28104481 0.79 SRC (0.38) SRC
SCHEMBL28104478 0.76 GAA (0.43) SRC
SCHEMBL28097289 0.76 SRC (0.36) SRC
SCHEMBL25371989 0.76 GSK3B (0.32) GSK3B
SCHEMBL28118651 0.75
SCHEMBL28095358 0.72
SCHEMBL28097359 0.72 GAA (0.46)
SCHEMBL27674513 0.67 MEN1 (0.34) SRC
SCHEMBL31556328 0.64 ALDH1A1 (0.39)

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-106414443-A Pyridopyrimidinedione derivatives 诺华股份有限公司 2017-02-15 CN disclosed