SCHEMBL4414845

SCHEMBL4414845

CCCCn1nnnc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
SLC9A1 P19634 1/20 0.41
CYP2C19 P33261 1/20 0.40
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
GRM2 Q14416 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 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
SCHEMBL4405936 0.94 SLC9A1 (0.42) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL4411145 0.92 SLC9A1 (0.44) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL4413974 0.87
SCHEMBL4403602 0.78
SCHEMBL18496466 0.77 CYP1A2 (0.57) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL2091620 0.77 KMT2A (0.47) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL11767211 0.75 KMT2A (0.43) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL5154397 0.75 HTT (0.45) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL2576640 0.75 KMT2A (0.43) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL4416327 0.75 GRM2 (0.44) KMT2AMEN1HTTALDH1A1GAA

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