SCHEMBL4406557

SCHEMBL4406557

CCCCc1nnnn1CCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC9A1 P19634 1/20 0.40
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL4403827 0.94 SLC9A1 (0.41) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL4414852 0.94 KMT2A (0.41) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL4403652 0.92 SLC9A1 (0.42) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL4408311 0.92 MEN1 (0.40) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4407174 0.92 ALDH1A1 (0.41) KMT2AMEN1HTTALDH1A1CYP2C19
SCHEMBL4409158 0.92 KMT2A (0.45) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL4405575 0.90 SLC9A1 (0.41) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL3033831 0.89 ALDH1A1 (0.36) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL4414808 0.89 SLC9A1 (0.42) KMT2AMEN1HTTALDH1A1SLC9A1
SCHEMBL4407183 0.89 SLC9A1 (0.42) KMT2AMEN1HTTALDH1A1SLC9A1

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