SCHEMBL5069128

SCHEMBL5069128

O=C([C]c1ccc(F)cc1F)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
MAPK11 Q15759 5/20 0.41
MAPK14 Q16539 5/20 0.41
GPR183 P32249 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL375778 0.77 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1504495 0.74 TTR (0.46) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL375156 0.74 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2031253 0.73 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2031249 0.73 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14KCNH2
Hydrochloric Acid SCHEMBL2029284 0.73 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1504761 0.73 ALDH1A1 (0.38) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2031835 0.70 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2031836 0.70 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1504529 0.70 ALDH1A1 (0.46) MAPK14ALDH1A1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed