SCHEMBL4412239

SCHEMBL4412239

CC(C)(C)Cc1nnn(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HDAC6 Q9UBN7 3/20 0.48
NPC1 O15118 2/20 0.48
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP19A1 P11511 2/20 0.42
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GHSR Q92847 1/20 0.40
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

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
SCHEMBL4409125 0.81 RAB9A (0.59) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4405605 0.80 HDAC6 (0.68) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4411921 0.79 RAB9A (0.56) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4161458 0.78 RAB9A (0.59) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4407355 0.77 RAB9A (0.54) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4407425 0.77 RAB9A (0.57) RAB9AL3MBTL1HDAC6NPC1GRN
SCHEMBL4404217 0.76 RAB9A (0.53) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4408838 0.75 CYP19A1 (0.52) RAB9AL3MBTL1HDAC6NPC1CYP19A1
SCHEMBL4407046 0.74 TRPV1 (0.55) RAB9AL3MBTL1HDAC6CNR2CNR1
SCHEMBL4405590 0.74 RAB9A (0.62) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2

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