SCHEMBL27640964

SCHEMBL27640964

O=C(O)CC1CC(c2cccc(C(F)(F)F)c2)=NO1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.57
RHOC P08134 1/20 0.53
RHOA P61586 1/20 0.53
ATM Q13315 1/20 0.47
F10 P00742 3/20 0.46
F2 P00734 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HTT P42858 1/20 0.45

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
Vgx-1027 SCHEMBL1404343 0.81 MIF (0.78) MIFITGB3ITGA2B
Vgx-1027 SCHEMBL1414048 0.81 MIF (0.78) MIFITGB3ITGA2B
SCHEMBL27482944 0.81 MIF (0.61) MIFF10F2ITGB3ITGA2B
SCHEMBL746606 0.81 POLB (0.57) ATMF10HTT
SCHEMBL2662779 0.77 MIF (0.56) MIF
SCHEMBL11378726 0.77 MIF (0.45) MIFRHOCRHOAATMF10
SCHEMBL12209194 0.75 F10 (0.44) ATMF10
SCHEMBL743565 0.75 MIF (0.60) MIFATMF10HTT
SCHEMBL27640963 0.75 F10 (0.45) MIFRHOCRHOAATMF10
SCHEMBL11394124 0.74 F10 (0.45) ATMF10HTT

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
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN disclosed