SCHEMBL4408634

SCHEMBL4408634

CCCCCCn1nnnc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 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
SCHEMBL4407954 0.98 SLC9A1 (0.40) SLC9A1MEN1KMT2AHTTSLC6A2
SCHEMBL4405709 0.93 KMT2A (0.41) SLC9A1MEN1KMT2AHTT
SCHEMBL4405271 0.85 CYP1A2 (0.42) SLC9A1MEN1KMT2A
SCHEMBL28702010 0.81 HCAR3 (0.39) MEN1KMT2AHTT
SCHEMBL28702014 0.81 HCAR3 (0.39) MEN1KMT2AHTT
SCHEMBL28711305 0.81 HCAR3 (0.39) MEN1KMT2AHTT
SCHEMBL28695456 0.81 HCAR3 (0.39) MEN1KMT2AHTT
SCHEMBL28712656 0.81 HCAR3 (0.39) MEN1KMT2AHTT
SCHEMBL28712661 0.81 HCAR3 (0.39) MEN1KMT2AHTT
SCHEMBL28691017 0.81 HCAR3 (0.39) MEN1KMT2AHTT

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