SCHEMBL28906129

SCHEMBL28906129

CC1(C)OB(c2cccc(-c3ncnc(-c4ccc5ccccc5c4)n3)c2)OC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.59
LPL P06858 6/20 0.59
DGAT1 O75907 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
EGFR P00533 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL28579072 0.92 LIPG (0.65) LIPGLPLDGAT1IRAK4KDM4E
SCHEMBL30125650 0.90 LIPG (0.62) LIPGLPLDGAT1IRAK4KDM4E
SCHEMBL16026560 0.90 LIPG (0.55) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL28437249 0.90 LIPG (0.70) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL24475168 0.90 LIPG (0.66) LIPGLPLDGAT1IRAK4KDM4E
SCHEMBL23105636 0.90 LIPG (0.62) LIPGLPLDGAT1IRAK4KDM4E
SCHEMBL29829108 0.90 LIPG (0.50) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL28553554 0.89 LIPG (0.72) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL26185476 0.89 LIPG (0.64) LIPGLPLDGAT1IRAK4KDM4E
SCHEMBL23277106 0.88 LIPG (0.52) LIPGLPLDGAT1IRAK4EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461339-A Novel compound and organic light emitting device comprising same 株式会社LG化学 2022-12-09 CN disclosed