SCHEMBL13365668

SCHEMBL13365668

CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(CCCCC3)c3cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc3-4)ccc2-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PDK2 Q15119 5/20 0.33
▸ PGR P06401 3/20 0.33
▸ NR1H3 Q13133 1/20 0.31

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
SCHEMBL13364607 0.89 APP (0.32) APPMAPTNR1H3
SCHEMBL13365656 0.87 PDK2 (0.40) APPMAPTPDK2PGRNR1H3
SCHEMBL13364124 0.86 PDK2 (0.34) APPMAPTPDK2
SCHEMBL13365870 0.83 PDK2 (0.38) APPMAPTPDK2PGRNR1H3
SCHEMBL13365733 0.83 PDK2 (0.38) APPMAPTPDK2PGRNR1H3
SCHEMBL13364428 0.83 RELA (0.36) APPMAPTPDK2NR1H3
SCHEMBL13364631 0.83 APP (0.34) APPMAPTPDK2
SCHEMBL13365511 0.83 — —
SCHEMBL13364553 0.83 — —
SCHEMBL13365731 0.82 EED (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-2010050781-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-05-06 — — WO disclosed
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