SCHEMBL28900014

SCHEMBL28900014

Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc(NCC2CC2)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.42
BRD4 O60885 1/20 0.35
AOC3 Q16853 1/20 0.35
NPY5R Q15761 7/20 0.34
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 3/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
VCP P55072 1/20 0.33
MAP4K4 O95819 1/20 0.32

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
SCHEMBL29594157 1.00 ABL1 (0.42) ABL1BRD4AOC3NPY5RPTGS2
SCHEMBL29594254 0.85 KCNH2 (0.37) ABL1BRD4NPY5RPTGS2MAPK14
SCHEMBL28461712 0.85 KCNH2 (0.37) ABL1BRD4NPY5RPTGS2MAPK14
SCHEMBL1064834 0.84 HSP90AB1 (0.43) ABL1AOC3NPY5RMAPK14CYP2D6
SCHEMBL27826688 0.82 VCP (0.38) NPY5RPTGS2VCP
SCHEMBL29594273 0.82 VCP (0.38) NPY5RPTGS2VCP
SCHEMBL29593325 0.82 ABL1 (0.36) ABL1NPY5RPTGS2KCNH2
SCHEMBL28470468 0.82 ABL1 (0.36) ABL1NPY5RPTGS2KCNH2
SCHEMBL28464519 0.80 PTGS2 (0.37) ABL1BRD4PTGS2MAPK14
SCHEMBL29593211 0.80 PTGS2 (0.37) ABL1BRD4PTGS2MAPK14

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 4 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
CN-111601593-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2020-08-28 CN disclosed