SCHEMBL5284985

SCHEMBL5284985

CCCCCN1C=CN(C(C)C)C1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
ABCB1 P08183 1/20 0.37
KMT2A Q03164 2/20 0.37
PDE2A O00408 2/20 0.37
TLR8 Q9NR97 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5329561 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5292826 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5305303 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5294521 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5330854 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5285709 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5302552 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5307886 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5331126 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1
SCHEMBL5297817 0.99 KCNH2 (0.46) KCNH2MMP1MMP3MMP9ABCB1

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