SCHEMBL4416280

SCHEMBL4416280

CCCCn1nnnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
SLC9A1 P19634 1/20 0.41
CYP2C19 P33261 3/20 0.40
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4411070 0.94 SLC9A1 (0.42) KMT2AMEN1CYP1A2ALDH1A1HTT
SCHEMBL4405512 0.92 SLC9A1 (0.44) KMT2AMEN1CYP1A2ALDH1A1HTT
SCHEMBL4405816 0.87
SCHEMBL4405726 0.78
SCHEMBL18496466 0.77 CYP1A2 (0.57) KMT2AMEN1CYP1A2ALDH1A1HTT
SCHEMBL2091620 0.77 KMT2A (0.47) KMT2AMEN1CYP1A2ALDH1A1HTT
SCHEMBL17508789 0.76 KMT2A (0.41) KMT2AMEN1CYP1A2ALDH1A1HTT
SCHEMBL4414845 0.75 KMT2A (0.45) KMT2AMEN1ALDH1A1HTTSLC9A1
SCHEMBL5154397 0.75 HTT (0.45) KMT2AMEN1ALDH1A1HTTSLC9A1
SCHEMBL4416327 0.75 GRM2 (0.44) KMT2AMEN1ALDH1A1HTTSLC9A1

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