SCHEMBL5772313

SCHEMBL5772313

COCCCNc1nccc(-c2[nH]c(C3OCC(C)(CNC(=O)c4ccccc4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.75
MAPK13 O15264 10/20 0.75
MAPK12 P53778 10/20 0.75
MAPK11 Q15759 10/20 0.75

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
SCHEMBL5770193 0.96 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771012 0.93 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769942 0.92 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769999 0.92 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768683 0.92 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772918 0.92 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771683 0.91 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769174 0.91 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769170 0.91 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771788 0.90 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed