SCHEMBL5771203

SCHEMBL5771203

CC1(CN)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCC4CCCO4)n3)[nH]2)OC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.61
MAPK13 O15264 10/20 0.61
MAPK12 P53778 10/20 0.61
MAPK11 Q15759 10/20 0.61
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL5768320 0.92 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5770057 0.92 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5768776 0.92 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5768725 0.90 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769067 0.89 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5772083 0.89 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5769613 0.89 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5768002 0.89 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5769008 0.88 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5771853 0.87 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11KDM4E

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