SCHEMBL4411145

SCHEMBL4411145

CCCCCCn1nnnc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4405936 0.98 SLC9A1 (0.42) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL4414845 0.92 KMT2A (0.45) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL4413974 0.84
SCHEMBL9871920 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL2092215 0.78 SLC9A1 (0.45) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL1027818 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL9872320 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL9872492 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL6536864 0.77 SLC9A1 (0.44) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL10601672 0.77 SLC9A1 (0.44) SLC9A1MEN1KMT2AHTTALDH1A1

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