SCHEMBL6472000

SCHEMBL6472000

COC(=O)c1ccc(F)c(-c2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.49
MAOB P27338 1/20 0.41
ROCK2 O75116 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
STRADA Q7RTN6 1/20 0.41
PARP1 P09874 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL6471760 0.94 MAPK14 (0.53) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471738 0.92 MAPK14 (0.47) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471010 0.92 MAPK14 (0.51) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6472855 0.91 PTGER1 (0.44) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471692 0.90 MAPK14 (0.47) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6473760 0.90 MAPK14 (0.50) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6473862 0.89 MAPK14 (0.44) MAPK14MAOBMAPK11PARP1BRD4
SCHEMBL6472757 0.88 MAPK14 (0.46) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471515 0.86 MAPK14 (0.47) MAPK14
SCHEMBL6474664 0.86 MAPK14 (0.49) MAPK14MAOBROCK2MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1490361-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2004-12-29 EP disclosed
WO-2003082866-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2003-10-09 WO disclosed