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SCHEMBL22883285

SCHEMBL22883285

N#Cc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(-c8ccccc8C#N)cccc7c6)cc5)n4)cc3)cc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8c(-c9ccc(-c%10ccccc%10C#N)cc9)cc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)cc8c7)cc6)n5)cc4)ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.39
▸ ABCB1 P08183 5/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ ABCC1 P33527 2/20 0.35
▸ MYC P01106 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL22883078 0.94 CYP1A2 (0.40) ABCG2ABCB1HSD17B1HSD17B2TRPA1
SCHEMBL19942087 0.89 TRPA1 (0.42) HSD17B1HSD17B2TRPA1ESR2GABRG2
SCHEMBL23873909 0.88 CYP1A2 (0.43) ABCG2TRPA1XDHMEN1ALDH1A1
SCHEMBL19942094 0.88 ESR2 (0.44) TRPA1ESR2GABRG2GABRB3GABRA5
SCHEMBL19942318 0.88 ESR2 (0.44) HSD17B1HSD17B2TRPA1ESR2GABRG2
SCHEMBL19939333 0.88 ESR2 (0.44) HSD17B1HSD17B2TRPA1ESR2GABRG2
SCHEMBL23873786 0.87 CYP1A2 (0.43) ABCG2ABCB1HSD17B1HSD17B2GABRG2
SCHEMBL22883062 0.87 CYP1A2 (0.47) ABCG2ABCB1HSD17B1HSD17B2GABRG2
SCHEMBL19939332 0.86 ABCG2 (0.47) ABCG2ABCB1HSD17B1HSD17B2GABRG2
SCHEMBL19939339 0.86 ABCG2 (0.47) ABCG2ABCB1HSD17B1HSD17B2GABRG2

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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