SCHEMBL5502641

SCHEMBL5502641

CCCCCC1(CCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCC)(CCCCC)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.40
APEX1 P27695 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN11 Q06124 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5498540 0.99 PDK2 (0.40) PDK2APEX1MEN1KMT2APTPN11
SCHEMBL4631076 0.94 PDK2 (0.44) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL13103893 0.94 PDK2 (0.36) PDK2APEX1MEN1KMT2APTPN11
SCHEMBL13103895 0.94 PDK2 (0.36) PDK2APEX1MEN1KMT2APTPN11
SCHEMBL13103950 0.94 PDK2 (0.36) PDK2APEX1MEN1KMT2APTPN11
SCHEMBL23759843 0.93 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL29466105 0.93 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL1795297 0.93 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL31531021 0.93 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL29789010 0.93 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP 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