SCHEMBL5770586

SCHEMBL5770586

C=CCNc1nccc(-c2[nH]c(C3OCC(C)(C(N)=O)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.77
MAPK13 O15264 12/20 0.77
MAPK12 P53778 12/20 0.77
MAPK11 Q15759 12/20 0.77

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
SCHEMBL5770289 0.93 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770365 0.92 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768554 0.92 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768144 0.91 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11
Benzamide SCHEMBL27745001 0.90 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769854 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769873 0.90 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770884 0.90 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL28944108 0.90 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770182 0.90 MAPK13 (0.78) 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 4 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