SCHEMBL6488565

SCHEMBL6488565

COc1ccc(Cn2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.70
RIPK3 Q9Y572 3/20 0.52
SRC P12931 1/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
PDE5A O76074 1/20 0.44

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
SCHEMBL6478337 0.87 MAPK14 (0.61) MAPK14RIPK3
SCHEMBL6478903 0.85 MAPK14 (0.70) MAPK14
SCHEMBL6478679 0.84 MAPK14 (0.65) MAPK14RIPK3SRCBRAFKDR
SCHEMBL6479429 0.83 MAPK14 (1.00) MAPK14RIPK3
SCHEMBL6490533 0.81 MAPK14 (0.61) MAPK14RIPK3SRCBRAFKDR
SCHEMBL6480518 0.78 MAPK14 (0.68) MAPK14RIPK3SRCBRAFKDR
SCHEMBL6478896 0.78 MAPK14 (1.00) MAPK14
SCHEMBL6491660 0.77 MAPK14 (0.78) MAPK14RIPK3
SCHEMBL6480419 0.77 MAPK14 (0.80) MAPK14
SCHEMBL6492214 0.76 MAPK14 (0.78) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919346-B2 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY (US) 2005-07-19 US disclosed
US-6790846-B2 SUCH AS 2-ETHYOXYMETHYL-4-(4-FLOUROPHENYL)-3-PYRIDIN-4-YL-2H-ISOXAZOL-5-ONE FOR INHIBITION OF THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR; TREATMENT OF ARTHRITIS AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-14 US disclosed