SCHEMBL2196964

SCHEMBL2196964

Cc1ccc(C(=O)Nc2ccsc2C(=O)OCC(N)=O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
MAPK14 Q16539 4/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 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
SCHEMBL2200544 0.90 ALDH1A1 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3369180 0.87 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2196957 0.84 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2573776 0.81 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2198854 0.80 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2195432 0.80 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2574934 0.79 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2196799 0.79 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL2198654 0.79 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2199579 0.78 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US claimed
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed