SCHEMBL4397434

SCHEMBL4397434

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CYP19A1 P11511 2/20 0.44
HDAC6 Q9UBN7 3/20 0.41
RAD51 Q06609 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4409073 0.87 RAB9A (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4409236 0.84 RAB9A (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4407425 0.83 RAB9A (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4410891 0.81 RAB9A (0.56) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4414649 0.78 RAB9A (0.65) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL3295862 0.76 RAB9A (0.50) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL3294669 0.76 RAB9A (0.50) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4413954 0.74 RAB9A (0.65) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4405590 0.73 RAB9A (0.62) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL2326678 0.73 RAB9A (0.62) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1

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