SCHEMBL5282404

SCHEMBL5282404

CCCCN1C=CN(c2ccccc2)C1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL5288382 0.96 KCNH2 (0.45) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5302065 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5292770 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5289950 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5291642 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5307999 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5816763 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5328123 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5816265 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A
SCHEMBL5291023 0.94 KCNH2 (0.47) KCNH2MMP1MMP3MMP9PDE2A

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