SCHEMBL4409406

SCHEMBL4409406

CCCn1nnnc1C#N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
SLC9A1 P19634 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4407254 0.89 KMT2A (0.40) ALDH1A1HSD17B10KMT2AMEN1CYP2C19
SCHEMBL4408228 0.87 SLC9A1 (0.39) ALDH1A1HSD17B10KMT2AMEN1CYP2C19
SCHEMBL4409207 0.85 SLC9A1 (0.41) KMT2AMEN1CYP2C19SLC9A1
SCHEMBL4411123 0.83
SCHEMBL4406977 0.74 MAPT (0.42) ALDH1A1KMT2AMAPTLMNA
SCHEMBL4411952 0.72
SCHEMBL2088828 0.70
SCHEMBL15323890 0.70
SCHEMBL4405816 0.68
SCHEMBL4413974 0.68

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