SCHEMBL4404385

SCHEMBL4404385

CCCCCCn1nnnc1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
SMPD1 P17405 4/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4408012 0.98 SLC9A1 (0.37) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL4411090 0.93 KMT2A (0.38) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL4414680 0.87 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTSMPD1
SCHEMBL4408846 0.86 CYP1A2 (0.42) SLC9A1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL4405881 0.85 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL4406853 0.81 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTSMPD1
SCHEMBL4405872 0.80 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTSMPD1
SCHEMBL4404184 0.80 SLC9A1 (0.40) SLC9A1MEN1KMT2AHTT
SCHEMBL4408015 0.80 KMT2A (0.40) SLC9A1MEN1KMT2AHTTALDH1A1
SCHEMBL4408134 0.79 ALDH1A1 (0.41) KMT2AHTTALDH1A1CYP1A2

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