SCHEMBL2573776

SCHEMBL2573776

COC(=O)Oc1sccc1NC(=O)c1ccc(C)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
MAPK14 Q16539 6/20 0.47
MAPT P10636 1/20 0.41
AVPR2 P30518 3/20 0.39
AVPR1A P37288 2/20 0.39
OXTR P30559 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
F10 P00742 1/20 0.36

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
SCHEMBL2574934 0.88 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2200544 0.87 ALDH1A1 (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2572688 0.86 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3369180 0.85 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2196799 0.82 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2196957 0.81 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2201902 0.81 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2198654 0.81 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2199579 0.81 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2196964 0.81 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14MAPT

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