SCHEMBL5329561

SCHEMBL5329561

CCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 1/20 0.39
ABCB1 P08183 4/20 0.39
PDE2A O00408 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
CSNK1E P49674 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
SCHEMBL5305579 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5302552 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5292826 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5294521 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5307886 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5285709 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5331126 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5305303 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5330854 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1
SCHEMBL5297817 1.00 KCNH2 (0.46) KCNH2KMT2AABCB1PDE2AMMP1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed