SCHEMBL15046232

SCHEMBL15046232

CC1(C)c2ccccc2Nc2ccc(-c3ccc4c(c3)C(C)(C)c3cc(CO)ccc3-4)cc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.46
PGR P06401 9/20 0.37
PDK4 Q16654 1/20 0.36
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 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
SCHEMBL12109350 0.81 PDK2 (0.52) PDK2PGRPDK4
SCHEMBL16017878 0.80 PDK2 (0.44) PDK2RXRA
SCHEMBL16017838 0.80 PDK2 (0.44) PDK2RXRA
SCHEMBL16022389 0.80 PDK2 (0.44) PDK2RXRA
SCHEMBL429096 0.80 PDK2 (0.46) PDK2
SCHEMBL430248 0.80 PDK2 (0.46) PDK2
SCHEMBL16022366 0.79 PDK2 (0.46) PDK2RXRA
SCHEMBL16025197 0.78 PDK2 (0.56) PDK2
SCHEMBL12934280 0.78 PDK2 (0.50) PDK2RXRA
SCHEMBL16017839 0.77 PDK2 (0.40) 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-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 WO disclosed