SCHEMBL15046113

SCHEMBL15046113

COCc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccccc1N3c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.42
▸ POLB P06746 1/20 0.37
▸ TP53 P04637 2/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL15046279 0.90 PDK2 (0.44) PDK2
SCHEMBL15046385 0.88 PDK2 (0.39) PDK2
SCHEMBL15019957 0.82 PDK2 (0.34) PDK2
SCHEMBL15046115 0.81 FSHR (0.31) PDK2TP53MDM2
SCHEMBL15046420 0.80 NR1H2 (0.40) PDK2POLB
SCHEMBL15046112 0.80 NR1H2 (0.38) —
SCHEMBL25582901 0.79 NR1H2 (0.35) PDK2
SCHEMBL15046371 0.79 — —
SCHEMBL15046355 0.79 NR1H2 (0.39) PDK2POLB
SCHEMBL15046383 0.78 PDE4B (0.31) —

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
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