SCHEMBL5498381

SCHEMBL5498381

CCCCCC1(CCCCC)c2cc(Br)ccc2-c2ccc([Si](C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
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
PDK2 Q15119 1/20 0.33
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3456777 0.99 RAB9A (0.33) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL27567063 0.99 RAB9A (0.33) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL27627490 0.96 NPC1 (0.34) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL5502528 0.95 NPC1 (0.33) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL3457852 0.90 MMP2 (0.34) PDK2
SCHEMBL516329 0.89 NPC1 (0.33) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL1572292 0.88 RAB9A (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL31228771 0.88 RAB9A (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL4532916 0.87 LMNA (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL13708994 0.87 LMNA (0.36) NPC1GAANFKB1RAB9ANFKB2

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