SCHEMBL13708952

SCHEMBL13708952

CC(C)(C)c1ccc(-c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
PDK2 Q15119 1/20 0.36
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
TDP2 O95551 1/20 0.31
XDH P47989 1/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C3 P42330 1/20 0.31
NEK2 P51955 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 4/20 0.30
RAB9A P51151 4/20 0.30
MITF O75030 2/20 0.30

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
SCHEMBL13708982 0.94 PDK2 (0.38) KIF11PDK2KMT2AMEN1SMN1; SMN2
SCHEMBL13709017 0.89 PDK2 (0.41) KIF11PDK2KMT2AMEN1SMN1; SMN2
SCHEMBL25596251 0.88 PDK2 (0.47) KIF11PDK2KMT2AMEN1SMN1; SMN2
SCHEMBL5355996 0.85 PDK2 (0.39) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4403113 0.82 CA1 (0.41) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3178700 0.82 PDK2 (0.45) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29524103 0.82 PDK2 (0.45) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22745012 0.82 PDK2 (0.40) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL679067 0.82 PDK2 (0.40) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL431232 0.81 KIF11 (0.37) KIF11PDK2KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558696-B1 NEW METHOD FOR THE PRODUCTION OF MONOMERS USEFUL IN THE MANUFACTURE OF SEMICONDUCTIVE POLYMERS MERCK PATENT GMBH (DE) 2009-09-23 EP disclosed
US-7368616-B2 Method for the production of monomers useful in the manufacture of semiconductive polymers MERCK PATENT GMBH (DE) 2008-05-06 US disclosed
US-7368616-B2 Method for the production of monomers useful in the manufacture of semiconductive polymers MERCK PATENT GMBH (DE) 2008-05-06 US disclosed