SCHEMBL4407355

SCHEMBL4407355

CC(C)Cc1nnn(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TRPV1 Q8NER1 2/20 0.51
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
HDAC6 Q9UBN7 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.42
DAGLA Q9Y4D2 2/20 0.40
GHSR Q92847 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL4409125 0.81 RAB9A (0.59) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL4405605 0.80 HDAC6 (0.68) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL4411921 0.79 RAB9A (0.56) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL4161458 0.78 RAB9A (0.59) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL4412239 0.77 RAB9A (0.54) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL18770574 0.77 RAB9A (0.47) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL4403748 0.77 RAB9A (0.57) RAB9AL3MBTL1TRPV1CNR2CNR1
SCHEMBL4404217 0.76 RAB9A (0.53) RAB9AL3MBTL1HDAC6NPC1SMN1; SMN2
SCHEMBL4408838 0.75 CYP19A1 (0.52) RAB9AL3MBTL1HDAC6NPC1CYP19A1
SCHEMBL4407129 0.74 TRPV1 (0.86) RAB9AL3MBTL1TRPV1CNR2CNR1

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