SCHEMBL4408022

SCHEMBL4408022

CCCCCn1nnnc1C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 3/20 0.34
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HCAR3 P49019 1/20 0.31

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
SCHEMBL4405314 0.98 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4409337 0.95 KMT2A (0.38) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4407312 0.88 ALDH1A1 (0.39) SLC9A1MEN1KMT2ACYP2C19LMNA
SCHEMBL1389228 0.86 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4405872 0.85 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4408437 0.81 KMT2A (0.40) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4404184 0.81 SLC9A1 (0.40) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4405081 0.80 ALDH1A1 (0.41) KMT2ALMNAALDH1A1
SCHEMBL4406853 0.79 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTT
SCHEMBL4405881 0.79 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTCYP2C19

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