SCHEMBL4407312

SCHEMBL4407312

CCCn1nnnc1C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC9A1 P19634 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4409337 0.89 KMT2A (0.38) ALDH1A1POLBKMT2AMEN1CYP2C19
SCHEMBL4408022 0.88 SLC9A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL4405314 0.86 SLC9A1 (0.39) KMT2AMEN1CYP2C19SLC9A1
SCHEMBL4405004 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2POLBKMT2AMEN1
SCHEMBL4405081 0.85 ALDH1A1 (0.41) ALDH1A1KMT2ALMNA
SCHEMBL4409305 0.79 LMNA (0.31) KMT2ALMNA
SCHEMBL4413092 0.79 CYP1A2 (0.42) ALDH1A1CYP1A2POLBKMT2AMEN1
SCHEMBL4407118 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2POLBKMT2AMEN1
SCHEMBL4403807 0.76 CNR2 (0.37) ALDH1A1
SCHEMBL13665887 0.75 CYP1A2 (0.47) ALDH1A1CYP1A2POLBKMT2AMEN1

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