SCHEMBL4403652

SCHEMBL4403652

CCCCCCn1nnnc1CCCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 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
SCHEMBL4403827 0.98 SLC9A1 (0.41) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4407183 0.96 SLC9A1 (0.42) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4409237 0.96 SLC9A1 (0.42) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4414808 0.96 SLC9A1 (0.42) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4405575 0.94 SLC9A1 (0.41) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4408311 0.93 MEN1 (0.40) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4413951 0.93 SLC9A1 (0.42) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4406557 0.92 KMT2A (0.42) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4410772 0.91 SLC9A1 (0.41) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4414852 0.91 KMT2A (0.41) SLC9A1ALDH1A1MEN1KMT2AHTT

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