SCHEMBL5771140

SCHEMBL5771140

Fc1ccc(CNc2nccc(-c3[nH]c(C4OCCCO4)nc3-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.56
MAPK13 O15264 8/20 0.56
MAPK12 P53778 8/20 0.56
MAPK11 Q15759 8/20 0.56
MKNK1 Q9BUB5 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK9 P45984 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5768690 0.95 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770534 0.95 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770614 0.93 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770149 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770325 0.89 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770307 0.89 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771822 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773498 0.89 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771099 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767853 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MKNK1

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 5 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
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