SCHEMBL22883283

SCHEMBL22883283

N#Cc1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccc(-c9ccccc9C#N)cc8)cc8c(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)cccc78)c6)n5)cc4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CLK4 Q9HAZ1 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GABRG2 P18507 6/20 0.37
▸ GABRB3 P28472 6/20 0.37
▸ GABRA1 P14867 5/20 0.37
▸ GABRA2 P47869 4/20 0.37
▸ ABCG2 Q9UNQ0 6/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ GABRA5 P31644 4/20 0.36
▸ GABRA3 P34903 4/20 0.36

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
SCHEMBL24872523 0.97 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL19942324 0.90 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL19942204 0.90 CYP1A2 (0.42) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL19942325 0.89 MEN1 (0.38) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL19942322 0.87 CYP1A2 (0.43) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL21131956 0.87 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL22986957 0.86 ABCG2 (0.47) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL22883058 0.86 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL22987041 0.85 ABCG2 (0.48) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL22883100 0.85 GABRG2 (0.37) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1

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
US-11152576-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-10-19 — — US disclosed
US-20210013422-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 — — US disclosed
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