SCHEMBL25652003

SCHEMBL25652003

CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(C#N)cc5)c4)n3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 8/20 0.56
▸ LPL P06858 7/20 0.56
▸ ABCG2 Q9UNQ0 9/20 0.41
▸ ABCB1 P08183 6/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ABCC1 P33527 3/20 0.38
▸ MYC P01106 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL25776703 0.94 LIPG (0.48) LIPGLPLABCG2ABCB1MEN1
SCHEMBL31463120 0.94 LIPG (0.63) LIPGLPLABCG2ABCB1ABCC1
SCHEMBL23384077 0.93 LIPG (0.60) LIPGLPLABCG2ABCB1ABCC1
SCHEMBL23383840 0.92 LIPG (0.50) LIPGLPLABCG2ABCB1MEN1
SCHEMBL31643042 0.92 LIPG (0.46) LIPGLPLABCG2ABCB1MEN1
SCHEMBL25709639 0.91 LIPG (0.53) LIPGLPLABCG2MEN1ALDH1A1
SCHEMBL23383914 0.91 LIPG (0.48) LIPGLPLABCG2ABCB1MEN1
SCHEMBL23383843 0.91 LIPG (0.55) LIPGLPLABCG2MEN1ALDH1A1
SCHEMBL30040595 0.91 LIPG (0.55) LIPGLPLABCG2MEN1ALDH1A1
SCHEMBL23327847 0.90 LIPG (0.69) LIPGLPLMEN1ALDH1A1KMT2A

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-2023113561-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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