SCHEMBL5498540

SCHEMBL5498540

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.40
PTPN11 Q06124 1/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
APEX1 P27695 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR3 P46089 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
SCHEMBL5502641 0.99 PDK2 (0.40) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL13103893 0.95 PDK2 (0.36) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL13103950 0.95 PDK2 (0.36) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL13103895 0.95 PDK2 (0.36) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL23759843 0.95 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29789010 0.95 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1795297 0.95 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29466105 0.95 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL31531021 0.95 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1923129 0.95 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13

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
CN-100489057-C Blue polyarylether high molecule electroluminescent material and its preparation method CHANGCHUN APPLIED CHEMISTRY (CN) 2009-05-20 CN disclosed
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
CN-1800296-A Blue polyarylether high molecule electroluminescent material and its preparation method CHANGCHUN APPLIED CHEMISTRY (CN) 2006-07-12 CN disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed