SCHEMBL26582245

SCHEMBL26582245

CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 6/20 0.48
▸ LPL P06858 5/20 0.48
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABCG2 Q9UNQ0 4/20 0.36
▸ P4HB P07237 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL26582217 0.90 LIPG (0.48) LIPGLPLCYP1A2CYP2C9CYP2C19
SCHEMBL21808823 0.87 LIPG (0.55) LIPGLPLCYP1A2CYP2C9CYP2C19
SCHEMBL31642888 0.84 LIPG (0.55) LIPGLPLP4HBDGAT1IRAK4
SCHEMBL31642621 0.84 LIPG (0.50) LIPGLPLABCG2DGAT1PDGFRB
SCHEMBL31642580 0.83 LIPG (0.54) LIPGLPLP4HBDGAT1IRAK4
SCHEMBL31643057 0.83 LIPG (0.46) LIPGLPLABCG2DGAT1PDGFRB
SCHEMBL27454193 0.81 LPL (0.41) LIPGLPLCYP1A2CYP2C9CYP2C19
SCHEMBL20922867 0.81 LIPG (0.51) LIPGLPLP4HBDGAT1IRAK4
SCHEMBL27296159 0.81 LIPG (0.51) LIPGLPLP4HBDGAT1IRAK4
SCHEMBL31643042 0.80 LIPG (0.46) LIPGLPLCYP1A2CYP2C9CYP2C19

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
WO-2023195735-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-10-12 — — WO disclosed
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