SCHEMBL4407254

SCHEMBL4407254

CCCCn1nnnc1C#N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 4/20 0.39
SLC9A1 P19634 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM2 Q14416 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4408228 0.95 SLC9A1 (0.39) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4409207 0.93 SLC9A1 (0.41) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4409406 0.89 CYP1A2 (0.41) KMT2AMEN1SLC9A1CYP2C19LMNA
SCHEMBL4411123 0.80
SCHEMBL18496466 0.72 CYP1A2 (0.57) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL2091620 0.72 KMT2A (0.47) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4406977 0.72 MAPT (0.42) KMT2ALMNAALDH1A1MAPTGRM2
SCHEMBL11767211 0.71 KMT2A (0.43) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL5154397 0.71 HTT (0.45) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4414845 0.71 KMT2A (0.45) KMT2AMEN1HTTSLC9A1CYP2C19

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