SCHEMBL1116239

SCHEMBL1116239

O=C(Cl)Oc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(OC(=O)Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.46
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6854556 0.85 PDK2 (0.47) PDK2THRBTDP1
SCHEMBL6854806 0.85 PDK2 (0.47) PDK2THRBTDP1
SCHEMBL6854533 0.85 PDK2 (0.47) PDK2THRBTDP1
SCHEMBL1355713 0.84 MAPT (0.51) PDK2
SCHEMBL1116178 0.84 KMT2A (0.50) PDK2
SCHEMBL516629 0.82 MAPT (0.49) PDK2THRBTDP1
Phosphine SCHEMBL23633149 0.75 PDK2 (0.53) PDK2
SCHEMBL6859729 0.75 PDK2 (0.39) PDK2TDP1
SCHEMBL1553236 0.75 PDK2 (0.45) PDK2THRBTDP1
SCHEMBL1552696 0.75 PDK2 (0.45) PDK2THRBTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281861-A2 Mixture of organic emission-enabled semiconductors and matrix materials, use of same and electronic components containing same Merck Patent GmbH (DE) 2011-02-09 EP disclosed
EP-1717291-A2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures Merck Patent GmbH (DE) 2006-11-02 EP disclosed
EP-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
EP-0676461-B1 Spiro compounds and their application as electroluminescence materials COVION ORGANIC SEMICONDUCTORS (DE) 2002-08-14 EP disclosed
EP-0676461-A2 Spiro compounds and their application as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 EP disclosed