SCHEMBL29593302

SCHEMBL29593302

CS(=O)(=O)c1nc(Nc2ccccc2Cl)c(C=O)c(-c2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALK Q9UM73 1/20 0.36
DHODH Q02127 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
IGF1R P08069 1/20 0.34
EGFR P00533 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE5A O76074 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL28461868 1.00 MAPK14 (0.41) MAPK14L3MBTL1AURKAAURKBPTGS1
SCHEMBL28460474 0.91 PTGS2 (0.41) MAPK14AURKAAURKBPTGS1PTGS2
SCHEMBL29593418 0.91 PTGS2 (0.41) MAPK14AURKAAURKBPTGS1PTGS2
SCHEMBL29594346 0.85 AURKA (0.40) AURKAAURKBPTGS1PTGS2ALK
SCHEMBL28899980 0.85 AURKA (0.40) AURKAAURKBPTGS1PTGS2ALK
SCHEMBL29593415 0.81 CACNA1B (0.38) AURKAPTGS2KMT2AMAPT
SCHEMBL1063642 0.81 CA1 (0.43) MAPK14AURKACDK5CDK5R1TSHR
SCHEMBL27806129 0.81 CACNA1B (0.38) AURKAPTGS2KMT2AMAPT
SCHEMBL29594294 0.81 MAPK14 (0.39) MAPK14L3MBTL1
SCHEMBL28899987 0.81 MAPK14 (0.39) MAPK14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114748622-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-09-24 CN disclosed
CN-114732910-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-08-23 CN disclosed
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