SCHEMBL28579072

SCHEMBL28579072

CC1(C)OB(c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c2)OC1(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.65
LPL P06858 8/20 0.65
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
SNCA P37840 1/20 0.37

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
SCHEMBL23105636 0.97 LIPG (0.62) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL30125650 0.97 LIPG (0.62) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL24475168 0.97 LIPG (0.66) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL26185476 0.96 LIPG (0.64) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL28906144 0.95 LIPG (0.67) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL28906129 0.92 LIPG (0.59) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL26185453 0.92 LIPG (0.55) LIPGLPLIRAK4ALDH1A1CYP1A2
SCHEMBL24353190 0.91 LIPG (0.77) LIPGLPLIRAK4CYP17A1CYP19A1
SCHEMBL22025719 0.91 LIPG (0.77) LIPGLPLIRAK4CYP17A1CYP19A1
SCHEMBL10263223 0.90 LPL (0.67) LIPGLPLIRAK4ALDH1A1CYP1A2

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
CN-115461339-A Novel compound and organic light emitting device comprising same 株式会社LG化学 2022-12-09 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed