SCHEMBL4409338

SCHEMBL4409338

CC(C)(C)Cn1nnnc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
STAT5B P51692 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
P2RX7 Q99572 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4408226 0.81 CNR2 (0.57) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL4406847 0.80 ALDH1A1 (0.59) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL4405662 0.79 CNR2 (0.55) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL28099662 0.78 CNR2 (0.54) CNR2STAT5BALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL14874912 0.78 ALDH1A1 (0.57) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL2092704 0.78 CNR2 (0.54) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL2092644 0.77 CNR2 (0.54) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL4409159 0.77 CNR2 (0.83) CNR2STAT5BALDH1A1MEN1KMT2A
SCHEMBL4414652 0.77 NPSR1 (0.50) CNR2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4405717 0.76 CNR2 (0.52) CNR2STAT5BALDH1A1MEN1KMT2A

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