SCHEMBL8104857

SCHEMBL8104857

CC1(N2CCOCC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.73
MAPK12 P53778 8/20 0.73
MAPK11 Q15759 8/20 0.73
MAPK14 Q16539 8/20 0.73
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
RPS6KA3 P51812 1/20 0.51
MAPK9 P45984 4/20 0.50
RAF1 P04049 3/20 0.50
SOAT1 P35610 3/20 0.50
ALOX5 P09917 1/20 0.50
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
FRK P42685 1/20 0.44
GCGR P47871 1/20 0.44
GSK3B P49841 1/20 0.44
PTK6 Q13882 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL6808760 0.86 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770995 0.85 SOAT1 (0.68) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL20555598 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL18797648 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770288 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL7215418 0.84 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5769910 0.84 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14CSNK1A1
Hydrochloric Acid SCHEMBL5768856 0.83 MAPK13 (0.97) MAPK13MAPK12MAPK11MAPK14CSNK1A1
Bromide SCHEMBL5770111 0.83 MAPK13 (0.97) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5772456 0.83 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14CSNK1A1

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
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP claimed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO claimed
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