SCHEMBL13680653

SCHEMBL13680653

CC(=O)c1ncc(-c2cccc(C)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
EGLN1 Q9GZT9 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAP4K4 O95819 2/20 0.43
CSNK1G2 P78368 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MAP4K5 Q9Y4K4 2/20 0.43
GRIN2B Q13224 6/20 0.43
GRIN1 Q05586 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PLK4 O00444 1/20 0.41

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
SCHEMBL22070487 0.82 CYP4F2 (0.66) KMOEGLN1CYP4F2CYP4A11GRIN2B
SCHEMBL27163064 0.80 SMN1; SMN2 (0.52) CYP4F2CYP4A11MAP4K4CSNK1G2CLK4
SCHEMBL13680648 0.79 HSD17B10 (0.51) KMOEGLN1MAP4K4GRIN2BGRIN1
SCHEMBL13555905 0.79 EGLN1 (0.46) KMOEGLN1CYP4F2CYP4A11GRIN2B
SCHEMBL15344198 0.78 EGLN1 (0.47) KMOEGLN1MAP4K4HSD17B1HSD17B2
SCHEMBL14831063 0.78 ALDH1A1 (0.56) KMOGRIN2BGRIN1ALDH1A1GAA
SCHEMBL13680651 0.77 IDO1 (0.47) EGLN1MAP4K4HTTNPC1RAB9A
SCHEMBL24405098 0.74 KIT (0.48) EGLN1GRIN2BGRIN1SYK
SCHEMBL24405113 0.74 EGLN1 (0.48) KMOEGLN1MAP4K4CSNK1G2CLK4
SCHEMBL8264151 0.74 DHODH (0.54) MAP4K4CSNK1G2CLK4MKNK2MAP4K5

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed