SCHEMBL19728706

SCHEMBL19728706

C=C(OCC)c1cn(-c2cc(N)c(F)cc2CO)c2c(Cl)c(N3CC(CN(C)C)C3)c(F)c(C)c2c1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.31
HTT P42858 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
SCHEMBL19728705 0.92 STAT3 (0.40) STAT3HTT
SCHEMBL19729345 0.89 CYP3A4 (0.37) STAT3HTT
SCHEMBL20921535 0.87 STAT3 (0.39) STAT3HTT
SCHEMBL19728820 0.83 STAT3 (0.41) STAT3HTT
SCHEMBL19728814 0.83 STAT3 (0.41) STAT3HTT
SCHEMBL19728704 0.81 STAT3 (0.39) STAT3HTT
SCHEMBL19729414 0.80 STAT3 (0.39) STAT3HTT
SCHEMBL19729346 0.80 STAT3 (0.38) STAT3HTT
SCHEMBL19729428 0.80 ALDH1A1 (0.40) STAT3HTT
SCHEMBL19728827 0.79 CYP3A4 (0.46)

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
WO-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 WO disclosed