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Sugi Predict / Compounds / SCHEMBL17849615

SCHEMBL17849615

SCHEMBL17849615

c1ccc(-c2cccc(N(c3ccc(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccccc5)c4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30

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
SCHEMBL17849629 0.93 HSD17B1 (0.33) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17849635 0.90 MEN1 (0.33) ESR1ESR2
SCHEMBL17849611 0.89 MEN1 (0.36) —
SCHEMBL13888823 0.89 — —
SCHEMBL18969043 0.89 KDM4E (0.31) —
SCHEMBL18969046 0.89 KDM4E (0.31) —
SCHEMBL18969038 0.89 CHRNA1 (0.32) BACE1ESR1ESR2HSD17B1HSD17B2
SCHEMBL18969019 0.89 CHRNA1 (0.32) BACE1ESR1ESR2HSD17B1HSD17B2
SCHEMBL17849692 0.88 ALDH1A1 (0.31) —
SCHEMBL13888824 0.88 CHRNA1 (0.31) HSD17B1HSD17B2

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-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 — — US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 — — US disclosed
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