SCHEMBL2581412

SCHEMBL2581412

Cc1c(NC(=O)Nc2ccccc2)cccc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.58
MAPK12 P53778 10/20 0.58
MAPK11 Q15759 10/20 0.58
MAPK14 Q16539 10/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.48
KLK7 P49862 1/20 0.48
GAA P10253 1/20 0.47
AVPR2 P30518 1/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 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
SCHEMBL2199352 0.87 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
Methane SCHEMBL2581414 0.83 SMN1; SMN2 (0.54) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2203090 0.81 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2199284 0.79 MAPT (0.59) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6824979 0.79 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2197054 0.78 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL1903401 0.78 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14AVPR2
SCHEMBL2203132 0.78 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2199250 0.77 NPC1 (0.59) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2195814 0.76 AVPR2 (0.64) MAPK13MAPK12MAPK11MAPK14NPC1

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
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP claimed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP claimed