SCHEMBL5839192

SCHEMBL5839192

CCc1cccc(CC)c1NCCCNc1c(CC)cccc1CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SCN5A Q14524 2/20 0.46
CACNA1C Q13936 1/20 0.46
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CLCN2 P51788 1/20 0.41
HTT P42858 1/20 0.40
ELANE P08246 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL5839292 0.91 SCN5A (0.48) KCNH2SCN5ACACNA1CGABRA1GABRB2
Bromide SCHEMBL814263 0.90 KCNH2 (0.40) KCNH2SCN5ACACNA1CGABRA1GABRB2
Hydrochloric Acid SCHEMBL812960 0.90 KCNH2 (0.40) KCNH2SCN5ACACNA1CGABRA1GABRB2
Hydrochloric Acid SCHEMBL813242 0.87 KCNH2 (0.38) KCNH2SCN5ACACNA1CGABRA1GABRB2
Bromide SCHEMBL820818 0.87 KCNH2 (0.38) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL28572581 0.86 ALDH1A1 (0.41) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL815599 0.83 SCN5A (0.43) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL813828 0.83 SCN5A (0.43) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL29113974 0.83 GABRA1 (0.46) KCNH2SCN5ACACNA1CGABRA1GABRB2
SCHEMBL813231 0.83 SCN5A (0.43) KCNH2SCN5ACACNA1CGABRA1GABRB2

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
US-6992034-B2 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2006-01-31 US disclosed
US-20050009690-A1 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATIONS, U.S.A. 2005-01-13 US disclosed