SCHEMBL5813003

SCHEMBL5813003

CCCCCCCCCCCCCCCCCN1C=CN(CC)C1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.40
EEF2K O00418 3/20 0.39
EEF2 P13639 2/20 0.39
MEN1 O00255 1/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
EGFR P00533 1/20 0.39
TYK2 P29597 1/20 0.39
FLT3 P36888 1/20 0.39
BLM P54132 1/20 0.39
ITK Q08881 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PDE2A O00408 2/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5295225 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5293936 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5815973 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5299115 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5300385 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5296720 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5295426 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5297106 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5295782 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K
SCHEMBL5303084 1.00 KCNH2 (0.50) KCNH2KMT2AEPHX2PKMEEF2K

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed