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Sugi Predict / Compounds / SCHEMBL19001948

SCHEMBL19001948

SCHEMBL19001948

c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.35
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL22425563 0.97 HSD17B1 (0.34) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL22425441 0.97 HSD17B1 (0.34) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL24817266 0.96 HSD17B1 (0.35) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL24919384 0.95 PDK2 (0.33) PDK2HSD17B1HSD17B2
SCHEMBL23278374 0.94 PDK2 (0.32) PDK2HSD17B1HSD17B2
SCHEMBL23278386 0.94 PDK2 (0.30) PDK2
SCHEMBL23278302 0.94 PDK2 (0.30) PDK2
SCHEMBL23278387 0.94 PDK2 (0.30) PDK2
SCHEMBL24646423 0.93 ESR1 (0.35) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL22425639 0.93 HSD17B1 (0.36) PDK2HSD17B1HSD17B2ESR1ESR2

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
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 — — EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
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