SCHEMBL5772211

SCHEMBL5772211

OCC1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccco4)n3)[nH]2)OC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.66
MAPK13 O15264 8/20 0.66
MAPK12 P53778 8/20 0.66
MAPK11 Q15759 8/20 0.66
KCNH3 Q9ULD8 2/20 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
SCHEMBL5794396 0.89 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6809563 0.89 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770082 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770750 0.88 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11KCNH3
SCHEMBL5769562 0.88 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773414 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771335 0.87 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11KCNH3
SCHEMBL5770016 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770811 0.86 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770315 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed
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