SCHEMBL4409207

SCHEMBL4409207

CCCCCCn1nnnc1C#N

nearest known ligand 0.42

Predicted protein targets (top 6)

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
CYP19A1 P11511 3/20 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
SCHEMBL4408228 0.98 SLC9A1 (0.39) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4407254 0.93 KMT2A (0.40) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4409406 0.85 CYP1A2 (0.41) SLC9A1MEN1KMT2ACYP2C19
SCHEMBL4411123 0.77
SCHEMBL9872320 0.74 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL9871920 0.74 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL9872492 0.74 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL2092215 0.74 SLC9A1 (0.45) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL1027818 0.74 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL10601672 0.73 SLC9A1 (0.44) 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