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Sugi Predict / Compounds / SCHEMBL19292257

SCHEMBL19292257

SCHEMBL19292257

Cc1cc2c3c(c4c(c2cc1C)-c1ccc(C(=O)c2ccccc2-c2ccccc2)cc1C41c2ccccc2-c2ccccc21)C(c1ccccc1-c1ccccc1)c1cc(C(=O)c2ccccc2-c2ccccc2)ccc1-3

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.33
▸ HTR7 P34969 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL14096680 0.86 ALDH1A1 (0.40) PDK2HTR7HTR2BALDH1A1CYP2C8
SCHEMBL13423248 0.77 PDK2 (0.43) PDK2CYP2C8MAPK13MAPK12MAPK11
SCHEMBL13423255 0.77 PDK2 (0.43) PDK2CYP2C8MAPK13MAPK12MAPK11
SCHEMBL14096678 0.77 BCL2L1 (0.42) PDK2ALDH1A1
SCHEMBL14096679 0.75 PDK2 (0.50) PDK2HTR7HTR2BALDH1A1
SCHEMBL29307110 0.74 PDK2 (0.48) PDK2ALDH1A1CYP2C8MAPK13MAPK12
SCHEMBL13423253 0.68 BCL2 (0.44) PDK2
SCHEMBL19292407 0.68 PDK2 (0.42) PDK2HTR7HTR2BALDH1A1
SCHEMBL10227419 0.67 CYP2C8 (0.46) PDK2ALDH1A1CYP2C8MAPK13MAPK12
SCHEMBL132972 0.67 ALDH1A1 (0.48) PDK2ALDH1A1MAPK13MAPK12MAPK11

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-3211058-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-08-30 — — EP disclosed
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