SCHEMBL5295692

SCHEMBL5295692

CCCCCN1C=CN(C)C1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.37
PDE2A O00408 2/20 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
SCHEMBL5286823 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5286147 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5287581 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5298756 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5294720 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5283967 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5297277 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5282065 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5816213 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9
SCHEMBL5817399 0.98 KCNH2 (0.50) KCNH2KMT2AMMP1MMP3MMP9

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