SCHEMBL27277579

SCHEMBL27277579

CC1(C)OB(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)cc4)n3)ccc2-c2ccc3c(c2)Oc2ccccc2O3)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 15/20 0.36
▸ ABCB1 P08183 9/20 0.36
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ ABCC1 P33527 4/20 0.34
▸ ADORA1 P30542 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL31643748 0.86 LPL (0.39) ABCG2ABCB1LPLLIPGABCC1
SCHEMBL27277436 0.85 MEN1 (0.37) LPLLIPGADORA1ADORA2AALDH1A1
SCHEMBL31643730 0.83 LPL (0.37) ABCG2ABCB1LPLLIPGABCC1
SCHEMBL27277747 0.82 MEN1 (0.37) LPLLIPGADORA1ADORA2AALDH1A1
SCHEMBL27275261 0.82 ABCG2 (0.44) ABCG2ABCB1ABCC1ADORA1ADORA2A
SCHEMBL31643430 0.82 LPL (0.39) ABCG2ABCB1LPLLIPGABCC1
SCHEMBL31643719 0.81 LPL (0.37) ABCG2ABCB1LPLLIPGABCC1
SCHEMBL24780493 0.81 LIPG (0.47) LPLLIPGALDH1A1MEN1LMNA
SCHEMBL32682798 0.78 ABCG2 (0.38) ABCG2ABCB1LPLLIPGABCC1
SCHEMBL22080813 0.77 ABCG2 (0.46) ABCG2ABCB1ABCC1ADORA1ADORA2A

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-2024101948-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2024-05-16 — — WO disclosed
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