SCHEMBL2574702

SCHEMBL2574702

C=CC(=O)OCCC(=O)Nc1ccc(C)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.49
MAPK12 P53778 8/20 0.49
MAPK11 Q15759 8/20 0.49
MAPK14 Q16539 8/20 0.49
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2198811 0.88 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2199162 0.85 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2200097 0.83 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2198446 0.83 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2198486 0.83 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2196197 0.82 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2200533 0.82 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2198208 0.81 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2200072 0.80 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2197746 0.79 MAPK13 (0.54) 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 4 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
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed