SCHEMBL28459802

SCHEMBL28459802

CCC(CC)Nc1nc(S(C)(=O)=O)nc(-c2ccc(F)cc2C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.37
HSP90AB1 P08238 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPK14 Q16539 2/20 0.33
BRD4 O60885 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 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
SCHEMBL29593632 1.00 CRHR1 (0.37) CRHR1HSP90AB1PTGS2MAPK14BRD4
SCHEMBL29593489 0.91 GLP1R (0.37) CRHR1HSP90AB1PTGS2MAPK14BRD4
SCHEMBL28461960 0.91 GLP1R (0.37) CRHR1HSP90AB1PTGS2MAPK14BRD4
SCHEMBL29593211 0.88 PTGS2 (0.37) HSP90AB1PTGS2MAPK14BRD4
SCHEMBL28464519 0.88 PTGS2 (0.37) HSP90AB1PTGS2MAPK14BRD4
SCHEMBL1061521 0.83 HSP90AB1 (0.44) CRHR1HSP90AB1
SCHEMBL28461712 0.80 KCNH2 (0.37) PTGS2MAPK14BRD4GRIN2B
SCHEMBL29594254 0.80 KCNH2 (0.37) PTGS2MAPK14BRD4GRIN2B
SCHEMBL28900014 0.80 ABL1 (0.42) PTGS2MAPK14BRD4GRIN2B
SCHEMBL29594311 0.79 MAPK14 (0.36) PTGS2MAPK14BRD4

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