SCHEMBL4405937

SCHEMBL4405937

CCCCc1nnn(C#N)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 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
SCHEMBL4405275 0.95 CYP19A1 (0.34) ALDH1A1
SCHEMBL4408125 0.93 CYP19A1 (0.36) ALDH1A1
SCHEMBL4406020 0.89 CYP19A1 (0.30)
SCHEMBL4413264 0.80
SCHEMBL4409262 0.74 POLB (0.41) ALDH1A1
SCHEMBL4414617 0.71 SIRT1 (0.32) ALDH1A1
SCHEMBL4407812 0.71 SIRT1 (0.32) ALDH1A1
SCHEMBL4408760 0.71 LMNA (0.38)
SCHEMBL4413441 0.71 SIRT1 (0.32) ALDH1A1
SCHEMBL4412152 0.69 KMT2A (0.45) ALDH1A1

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