SCHEMBL4416332

SCHEMBL4416332

O=[N+]([O-])c1nnn(C(F)(F)F)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL4406112 0.80 LMNA (0.34) MITFALPLPOLBMAPTAPEX1
SCHEMBL4404432 0.77
SCHEMBL3831683 0.70 XDH (0.45) POLBMAPTSMN1; SMN2
SCHEMBL7837335 0.68
SCHEMBL2210336 0.68
SCHEMBL4408198 0.68
SCHEMBL4408836 0.68 HTT (0.37) MITFALPLPOLBMAPTAPEX1
SCHEMBL4413166 0.68
SCHEMBL16243616 0.67 HTT (0.33) MITFALPLPOLBMAPTAPEX1
SCHEMBL7854274 0.67 HTT (0.33) MITFALPLPOLBMAPTAPEX1

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