SCHEMBL10039402

SCHEMBL10039402

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(Br)ccc4-c4ccc(Br)cc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL15159198 0.93 PDK2 (0.42) PDK2APEX1CNR2
SCHEMBL29466105 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL1923129 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL27194802 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL29789010 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL23759843 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL31531021 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL1795297 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL989818 0.85 PDK2 (0.43) PDK2APEX1MEN1KMT2A
SCHEMBL4631076 0.84 PDK2 (0.44) PDK2APEX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368726-B2 Polymers containing structural units which have electron-transport properties MERCK PATENT GMBH (DE) 2016-06-14 — — US disclosed
US-9368726-B2 Polymers containing structural units which have electron-transport properties MERCK PATENT GMBH (DE) 2016-06-14 — — US disclosed
EP-2889320-A2 Polymers with structure units having electron transport properties Merck Patent GmbH (DE) 2015-07-01 — — EP disclosed
US-20130126791-A1 POLYMERS CONTAINING STRUCTURAL UNITS WHICH HAVE ELECTRON-TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2013-05-23 — — US disclosed
US-20130126791-A1 POLYMERS CONTAINING STRUCTURAL UNITS WHICH HAVE ELECTRON-TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2013-05-23 — — US disclosed
WO-2012016627-A2 POLYMERS HAVING STRUCTURAL UNITS WITH ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2012-02-09 — — WO disclosed
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