SCHEMBL13708982

SCHEMBL13708982

CC(C)(C)c1ccc(C2(c3ccc(-c4ccccc4)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KIF11 P52732 4/20 0.36
HSD17B2 P37059 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DHODH Q02127 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13708952 0.94 KIF11 (0.37) PDK2ALDH1A1KIF11MEN1KMT2A
SCHEMBL13709017 0.93 PDK2 (0.41) PDK2ALDH1A1KIF11MEN1KMT2A
SCHEMBL25596251 0.89 PDK2 (0.47) PDK2ALDH1A1KIF11MEN1KMT2A
SCHEMBL12635475 0.88 MAPK1 (0.48) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL16922978 0.85 MAPK1 (0.45) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL3176035 0.84 ALDH1A1 (0.41) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL16922977 0.84 MEN1 (0.47) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL31420430 0.83 NPC1 (0.35) PDK2ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL3178700 0.83 PDK2 (0.45) PDK2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29524103 0.83 PDK2 (0.45) PDK2ALDH1A1MEN1KMT2ASMN1; 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