SCHEMBL26274336

SCHEMBL26274336

N#Cc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 15/20 0.49
▸ ABCB1 P08183 9/20 0.49
▸ ABCC1 P33527 4/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40

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
SCHEMBL26276961 0.99 ABCG2 (0.48) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL26276963 0.99 ABCG2 (0.48) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL27369382 0.99 ABCG2 (0.50) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL27369387 0.99 ABCG2 (0.50) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL27369401 0.99 ABCG2 (0.50) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL31643806 0.97 ABCG2 (0.49) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL27368459 0.95 ABCG2 (0.45) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL31643590 0.94 ABCG2 (0.47) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL31643063 0.94 ABCG2 (0.49) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL31643519 0.94 ABCG2 (0.49) ABCG2ABCB1ABCC1MEN1ALDH1A1

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-2023172112-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2023-09-14 — — WO disclosed
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