SCHEMBL6478403

SCHEMBL6478403

O=c1on(Cc2cccc([N+](=O)[O-])c2)c(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.58
POLB P06746 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6478903 0.83 MAPK14 (0.70) MAPK14
SCHEMBL6488565 0.76 MAPK14 (0.70) MAPK14SRCBRAFKDR
SCHEMBL6478679 0.76 MAPK14 (0.65) MAPK14SRCBRAFKDR
SCHEMBL6479429 0.74 MAPK14 (1.00) MAPK14
SCHEMBL6478337 0.73 MAPK14 (0.61) MAPK14
SCHEMBL6490022 0.72 MAPK14 (0.70) MAPK14
SCHEMBL6488157 0.71 MAPK14 (0.71) MAPK14
SCHEMBL6803257 0.71 MAPK14 (0.74) MAPK14
SCHEMBL6478896 0.70 MAPK14 (1.00) MAPK14
SCHEMBL6480419 0.69 MAPK14 (0.80) 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