SCHEMBL5502528

SCHEMBL5502528

CCCCCC1(CCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCC)(CCCCC)c3cc([Si](C)(C)C)ccc3-4)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
NFKB1 P19838 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 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
SCHEMBL5498381 0.95 NPC1 (0.33) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL516329 0.94 NPC1 (0.33) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL3456777 0.94 RAB9A (0.33) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL27567063 0.94 RAB9A (0.33) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL27627490 0.91 NPC1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2000265 0.88 RAB9A (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13480894 0.88 RAB9A (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL22749433 0.88 RAB9A (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL10357544 0.85 NPC1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL3457852 0.85 MMP2 (0.34) PDK2

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