SCHEMBL4407231

SCHEMBL4407231

FC(F)(F)C(F)(F)n1nnnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 3/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 3/20 0.42
PTGS2 P35354 2/20 0.42
P2RX7 Q99572 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.38

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
SCHEMBL4409008 0.87 LMNA (0.49) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL4405748 0.79 LMNA (0.53) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL2012054 0.79 LMNA (0.53) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL4408728 0.79 ALDH1A1 (0.50) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL976147 0.78 LMNA (0.47) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL4407811 0.76 LMNA (0.50) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL8947286 0.74 PTGS2 (0.46) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL4403766 0.72 ALDH1A1 (0.50) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL10737969 0.71 HSD17B10 (0.42) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL890039 0.71 LMNA (0.77) LMNAHSD17B10ALDH1A1L3MBTL1TSHR

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