SCHEMBL4407302

SCHEMBL4407302

CC(C)(C)n1nnnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL4411188 0.78
SCHEMBL4405255 0.75
SCHEMBL4411945 0.75
SCHEMBL4411952 0.70
SCHEMBL21721550 0.67 ALDH1A1 (0.37) ALDH1A1TSHRNPSR1SMN1; SMN2LMNA
SCHEMBL4407817 0.65
SCHEMBL4403793 0.65
SCHEMBL4413253 0.65 ALDH1A1 (0.39) ALDH1A1NPSR1LMNA
SCHEMBL4408186 0.65
SCHEMBL4631171 0.65 ALDH1A1 (0.39) ALDH1A1NPSR1LMNA

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