SCHEMBL29594376

SCHEMBL29594376

COC(=O)NCc1cc(F)ccc1COc1cc(C)n(-c2cc(C(=O)NCC(C)(C)O)ccc2C)c(=O)c1Br

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.65
ROCK2 O75116 1/20 0.65
MAPK12 P53778 1/20 0.65
MAPK11 Q15759 1/20 0.65
STRADA Q7RTN6 1/20 0.65

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
SCHEMBL4377771 1.00 MAPK14 (0.65) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4381204 0.90 MAPK14 (0.80) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593793 0.90 MAPK14 (0.80) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4384873 0.90 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594092 0.90 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593721 0.90 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4381647 0.90 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13603341 0.89 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4379505 0.89 MAPK14 (0.67) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593777 0.88 MAPK14 (0.79) MAPK14ROCK2MAPK12MAPK11STRADA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 CN disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 CN disclosed