SCHEMBL4409256

SCHEMBL4409256

CCCCCc1nnn(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
MIF P14174 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
HSD11B1 P28845 1/20 0.30
DDX3X O00571 1/20 0.30

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
SCHEMBL4408964 0.98 GABRA2 (0.35) GABRA2GABRB2MIFGPR84DDX3X
SCHEMBL4406930 0.95 GABRA2 (0.33) GABRA2GABRB2
SCHEMBL4404994 0.87 GABRB3 (0.32)
SCHEMBL4411049 0.86 GPR84 (0.33) GABRA2GABRB2MIFGPR84HSD11B1
SCHEMBL4411186 0.85 GABRA2 (0.34) GABRA2GABRB2GPR84HSD11B1DDX3X
SCHEMBL4405497 0.84 MIF (0.33) MIFGPR84
SCHEMBL4410762 0.82 MIF (0.33) GABRA2GABRB2MIFGPR84
SCHEMBL4407156 0.82 MIF (0.33) MIFGPR84
SCHEMBL4404895 0.81 GABRA2 (0.31) GABRA2GABRB2DDX3X
SCHEMBL4407891 0.81 ALDH1A1 (0.35) GABRA2GABRB2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed