SCHEMBL4409073

SCHEMBL4409073

FC(F)(F)C(F)(F)c1nnn(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP19A1 P11511 2/20 0.42
HDAC6 Q9UBN7 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.38
KMT2A Q03164 1/20 0.37
RAD51 Q06609 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL4397434 0.87 RAB9A (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4409236 0.81 RAB9A (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4407425 0.80 RAB9A (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4410891 0.79 RAB9A (0.56) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4414649 0.75 RAB9A (0.65) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL3295862 0.74 RAB9A (0.50) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL3294669 0.74 RAB9A (0.50) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4406039 0.72 LMNA (0.37) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL4413954 0.72 RAB9A (0.65) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4406033 0.71 ABCG2 (0.44) RAB9ANPC1

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