SCHEMBL4414653

SCHEMBL4414653

FC(F)(F)n1nnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.44
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4405730 0.87 SMN1; SMN2 (0.51) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL7390849 0.81 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4411343 0.81 SMN1; SMN2 (0.56) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4415031 0.81 SMN1; SMN2 (0.60) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4638378 0.79 SMN1; SMN2 (0.51) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4405947 0.78 RAB9A (0.50) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4617609 0.77 SMN1; SMN2 (0.56) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL3831683 0.75 XDH (0.45) SMN1; SMN2POLBRAB9ANPC1MAPK1
SCHEMBL4411089 0.74 RAB9A (0.53) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4148430 0.73 SMN1; SMN2 (0.43) SMN1; SMN2POLBRAB9ANPC1L3MBTL1

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