SCHEMBL1552696

SCHEMBL1552696

O=C(Cl)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(=O)Cl)ccc2-c2ccc(C(=O)Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 19/20 0.45
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1553236 1.00 PDK2 (0.45) PDK2THRBTDP1
SCHEMBL1553055 1.00 PDK2 (0.45) PDK2THRBTDP1
SCHEMBL14681786 0.91 PDK2 (0.47) PDK2
SCHEMBL10039377 0.91 PDK2 (0.47) PDK2
SCHEMBL31025647 0.91 PDK2 (0.37) PDK2
SCHEMBL4452478 0.91 PDK2 (0.37) PDK2
SCHEMBL8984635 0.85 PDK2 (0.38) PDK2THRBTDP1
SCHEMBL134285 0.85 PDK2 (0.58) PDK2THRBTDP1
SCHEMBL15041018 0.85 PDK2 (0.47) PDK2THRBTDP1
SCHEMBL29114 0.85 PDK2 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060006365-A1 Spirobifluorene derivatives, their preparation and uses thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-01-12 US claimed
US-8188462-B2 Spirobifluorene derivatives, their preparation and uses thereof MERCK PATENT GMBH (DE) 2012-05-29 US disclosed
EP-1534661-B1 SPIROBIFLUORENE DERIVATIVES, THEIR PREPARATION AND USES THEREOF MERCK PATENT GMBH (DE) 2011-04-27 EP disclosed
US-20090302274-A1 SPIROBIFLUORENE DERIVATIVES, THEIR PREPARATION AND USES THEREOF MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
US-7557249-B2 Spirobifluorene derivatives, their preparation and uses thereof MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-20060006365-A1 Spirobifluorene derivatives, their preparation and uses thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-01-12 US disclosed
EP-1534661-A1 SPIROBIFLUORENE DERIVATIVES, THEIR PREPARATION AND USES THEREOF Covion Organic Semiconductors GmbH (DE) 2005-06-01 EP disclosed
WO-2004013080-A1 SPIROBIFLUORENE DERIVATIVES, THEIR PREPARATION AND USES THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-02-12 WO disclosed