SCHEMBL18900386

SCHEMBL18900386

O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(CC(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.39
▸ NR3C2 P08235 1/20 0.32
▸ ACHE P22303 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
SCHEMBL12856537 0.87 PDK2 (0.49) PDK2
SCHEMBL134303 0.87 PDK2 (0.49) PDK2
SCHEMBL14854149 0.81 PDK2 (0.46) PDK2
SCHEMBL132979 0.81 PDK2 (0.50) PDK2
SCHEMBL14252222 0.80 PDK2 (0.43) PDK2ACHE
SCHEMBL15159214 0.80 PDK2 (0.47) PDK2
SCHEMBL13781081 0.79 PDK2 (0.44) PDK2
SCHEMBL18854160 0.79 PDK2 (0.43) PDK2
SCHEMBL12559985 0.79 PDK2 (0.37) PDK2
SCHEMBL13781052 0.78 PDK2 (0.49) 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
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 — — EP disclosed
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