SCHEMBL179849

SCHEMBL179849

CC(SSc1ccccn1)c1ccc(C(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC6 Q9UBN7 13/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL15493502 0.90 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL321300 0.87 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL15080491 0.87 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL16491630 0.87 HDAC6 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL3618238 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL5150403 0.83 MAPK1 (0.52) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL14872074 0.81 NAAA (0.52) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL14868085 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL17928447 0.80 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL29386113 0.80 MAPT (0.36) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933218-B2 Conjugation process for PNAG and a carrier protein GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2015-01-13 US claimed
US-8101423-B2 Label-free high-throughput optical technique for detecting biomolecular interactions SRU BIOSYSTEMS, INC. (US) 2012-01-24 US claimed
US-20090148955-A1 Label-Free High-Throughput Optical Technique for Detecting Biomolecular Interactions SRU BIOSYSTEMS, INC. 2009-06-11 US claimed
JP-4202140-B2 2008-12-24 JP claimed
US-7435385-B2 Label-free high-throughput optical technique for detecting biomolecular interactions SRU BIOSYSTEMS, INC. (US) 2008-10-14 US claimed
EP-1892518-A2 A label-free high throughput optical technique for detecting bio-molecular interactions SRU Biosystems, Inc. (US) 2008-02-27 EP claimed
EP-1468290-A4 A GUIDED MODE RESONANT FILTER BIOSENSOR USING A LINEAR GRATING SURFACE STRUCTURE SRU BIOSYSTEMS INC (US) 2006-09-27 EP claimed
EP-1468290-A2 A GUIDED MODE RESONANT FILTER BIOSENSOR USING A LINEAR GRATING SURFACE STRUCTURE Sru Biosystems, LLC (US) 2004-10-20 EP claimed
JP-2004529324-A 2004-09-24 JP claimed
US-20040151626-A1 Label-free high-throughput optical technique for detecting biomolecular interactions X-BODY, INC. 2004-08-05 US claimed
EP-1337847-A1 A LABEL-FREE HIGH-THROUGHPUT OPTICAL TECHNIQUE FOR DETECTING BIOMOLECULAR INTERACTIONS Sru Biosystems, LLC (US) 2003-08-27 EP claimed
WO-2003064995-A2 A GUIDED MODE RESONANT FILTER BIOSENSOR USING A LINEAR GRATING SURFACE STRUCTURE SRU BIOSYSTEMS, LLC (US) 2003-08-07 WO claimed
US-20030027328-A1 Guided mode resonant filter biosensor using a linear grating surface structure SRU BIOSYSTEMS, LLC 2003-02-06 US claimed
US-20020127565-A1 Biosensor for use in detecting and monitoring biopolymer activity in sample SRU BIOSYSTEMS, LLC 2002-09-12 US claimed
WO-2002061429-A2 A LABEL-FREE HIGH-THROUGHPUT OPTICAL TECHNIQUE FOR DETECTING BIOMOLECULAR INTERACTIONS SRU BIOSYSTEMS, LLC (US) 2002-08-08 WO claimed
US-8580578-B2 Optical detection of label-free biomolecular interactions using microreplicated plastic X-BODY, INC. (US) 2013-11-12 US disclosed
US-20120101230-A1 HIGH-DENSITY POLYMER SURFACE COATING TO IMMOBILIZE CHEMICAL OR BIOLOGICAL MOLECULES X-BODY, INC. 2012-04-26 US disclosed
US-20020127565-A1 Biosensor for use in detecting and monitoring biopolymer activity in sample SRU BIOSYSTEMS, LLC 2002-09-12 US disclosed
WO-2002061429-A2 A LABEL-FREE HIGH-THROUGHPUT OPTICAL TECHNIQUE FOR DETECTING BIOMOLECULAR INTERACTIONS SRU BIOSYSTEMS, LLC (US) 2002-08-08 WO disclosed
WO-2002059602-A2 A LABEL-FREE HIGH-THROUGHPUT OPTICAL TECHNIQUE FOR DETECTING BIOMOLECULAR INTERACTIONS SRU BIOSYSTEMS, LLC (US) 2002-08-01 WO disclosed