SCHEMBL4408189

SCHEMBL4408189

O=[N+]([O-])n1nnnc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
DAGLA Q9Y4D2 2/20 0.40
CNR2 P34972 1/20 0.40
STAT5B P51692 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
HSD11B1 P28845 2/20 0.38
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL15643076 0.75 FBP1 (0.39) ALDH1A1MGLLFAAH
SCHEMBL4409006 0.72 NPC1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL2092704 0.71 CNR2 (0.54) ALDH1A1MGLLFAAHDAGLACNR2
SCHEMBL1956544 0.71 SMN1; SMN2 (0.55) ALDH1A1HSD11B1SMN1; SMN2PKM
SCHEMBL6358697 0.71 PKM (0.58) ALDH1A1HSD11B1SMN1; SMN2PKM
SCHEMBL4407041 0.70 ALDH1A1 (0.46) ALDH1A1MGLLFAAHDAGLACNR2
SCHEMBL4413673 0.70 CNR2 (0.45) ALDH1A1MGLLFAAHDAGLACNR2
SCHEMBL1067246 0.70 ALDH1A1 (0.46) ALDH1A1MGLLFAAHDAGLACNR2
SCHEMBL4407850 0.70 CNR2 (0.45) ALDH1A1MGLLFAAHDAGLACNR2
SCHEMBL4409003 0.70 CNR2 (0.49) ALDH1A1MGLLFAAHDAGLACNR2

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