SCHEMBL4405872

SCHEMBL4405872

CCCCCCn1nnnc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SMPD1 P17405 4/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1389228 0.98 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTCNR1
SCHEMBL4408437 0.93 KMT2A (0.40) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4405314 0.87 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTSMPD1
SCHEMBL4405004 0.85 ALDH1A1 (0.41) SLC9A1MEN1KMT2ACYP2C19
SCHEMBL4408022 0.85 SLC9A1 (0.37) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4406853 0.84 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTSMPD1
SCHEMBL4414680 0.83 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTSMPD1
SCHEMBL4404184 0.82 SLC9A1 (0.40) SLC9A1MEN1KMT2AHTTCNR1
SCHEMBL4405881 0.81 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4404385 0.80 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTSMPD1

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