SCHEMBL6818529

SCHEMBL6818529

O=C(O)/C=C/c1cc(Cl)c(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
TDO2 P48775 1/20 0.44
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
PTGER1 P34995 2/20 0.43
EIF2AK2 P19525 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
TBXA2R P21731 2/20 0.40
PTGFR P43088 2/20 0.40
PTGIR P43119 2/20 0.40
PTGDR Q13258 2/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
PTGER4 P35408 1/20 0.40
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL6818532 1.00 MIF (0.54) MIFTDO2PTGER3PTGER2PTGER1
Hydrochloric Acid SCHEMBL6822179 0.98 MIF (0.53) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL4929765 0.94 MIF (0.56) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL4929762 0.94 MIF (0.56) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL8849971 0.87 MIF (0.51) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL8942312 0.87 MIF (0.51) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL4715189 0.86 MIF (0.63) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL4715190 0.86 MIF (0.63) MIFTDO2PTGER3PTGER2PTGER1
SCHEMBL6822173 0.85 MIF (0.39) MIFMAPTKDM4E
SCHEMBL6822176 0.85 MIF (0.39) MIFMAPTKDM4E

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
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed