SCHEMBL4069019

SCHEMBL4069019

CCCCCc1cccc(-c2n[c]no2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 11/20 0.47
SPHK1 Q9NYA1 9/20 0.47
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9658657 0.77 LPL (0.59) LPLLIPGTDP1L3MBTL1
SCHEMBL3933762 0.76 SPHK2 (0.48) SPHK2SPHK1LPLLIPGTDP1
SCHEMBL28079356 0.75 LPL (0.61) LPLLIPGTDP1L3MBTL1
SCHEMBL95836 0.72 SPHK2 (0.57) SPHK2SPHK1LPLLIPG
SCHEMBL6059834 0.72 LPL (0.54) LPLLIPG
SCHEMBL3790301 0.71 SPHK2 (0.50) SPHK2SPHK1LPLLIPGTDP1
SCHEMBL199210 0.71 LPL (0.52) LPLLIPGTDP1L3MBTL1
SCHEMBL8518305 0.71 LPL (0.66) LPLLIPGTDP1L3MBTL1
SCHEMBL3126881 0.71 LPL (0.56) LPLLIPG
SCHEMBL27694667 0.71 LPL (0.56) LPLLIPG

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
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed