SCHEMBL7222285

SCHEMBL7222285

COCCOc1nccc(-c2[nH]c(CC3OCC(CO)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.44
MAPK13 O15264 6/20 0.41
MAPK12 P53778 6/20 0.41
MAPK11 Q15759 6/20 0.41
CSNK1D P48730 3/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
PRKCA P17252 2/20 0.37
CSNK1A1 P48729 2/20 0.37
MINK1 Q8N4C8 2/20 0.37
MAP4K5 Q9Y4K4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
CYP1A2 P05177 1/20 0.37
LCK P06239 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FRK P42685 1/20 0.37

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
SCHEMBL5769918 0.86 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7222296 0.82 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7215202 0.80 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL5769779 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5768521 0.79 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770601 0.78 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771209 0.77 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5770808 0.77 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770958 0.76 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7221774 0.75 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed