SCHEMBL12856554

SCHEMBL12856554

S=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL15040934 0.81 PDK2 (0.42) PDK2
SCHEMBL20198233 0.81 PDK2 (0.41) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL134286 0.81 PDK2 (0.58) PDK2
SCHEMBL134285 0.81 PDK2 (0.58) PDK2
SCHEMBL15041018 0.81 PDK2 (0.47) PDK2
SCHEMBL29114 0.81 PDK2 (0.58) PDK2
SCHEMBL5846670 0.79 PDK2 (0.55) PDK2KMT2A
SCHEMBL12337045 0.79 PDK2 (0.60) PDK2
SCHEMBL2456262 0.79 PDK2 (0.55) PDK2KMT2A
SCHEMBL31146728 0.79 PDK2 (0.55) PDK2KMT2A

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 7 patents. 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
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed
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
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 US disclosed
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 US disclosed