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Sugi Predict / Compounds / SCHEMBL25858965

SCHEMBL25858965

SCHEMBL25858965

c1ccc(C2(c3cccc(-c4ccc5c(c4)C4(c6cc7ccccc7cc6O5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccc4ccccc4c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.34
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHRND Q07001 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
SCHEMBL25866308 0.95 PDK2 (0.34) PDK2
SCHEMBL25859037 0.94 PDK2 (0.33) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25858625 0.93 PDK2 (0.31) PDK2
SCHEMBL25858969 0.92 PDK2 (0.33) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25858854 0.92 PDK2 (0.33) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25859031 0.90 PDK2 (0.30) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25853630 0.89 PDK2 (0.33) PDK2
SCHEMBL25866433 0.89 PDK2 (0.33) PDK2
SCHEMBL25857535 0.89 PDK2 (0.36) PDK2
SCHEMBL25858523 0.89 PDK2 (0.33) PDK2

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 — — WO disclosed