SCHEMBL1809702

SCHEMBL1809702

CN(C)c1ccc(-c2cnc(-c3ccccc3)o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
CASP1 P29466 1/20 0.74
RAB9A P51151 9/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
MITF O75030 1/20 0.64
NPC1 O15118 8/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 4/20 0.56
TP53 P04637 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL4879301 1.00 ALOX15 (0.74) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL14140425 0.87 ALOX15 (0.54) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL13600370 0.87 RAB9A (0.67) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL75219 0.86 ALOX15 (1.00) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL10726923 0.86 ALOX15 (1.00) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL12573259 0.86 HSD17B1 (0.57) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL12573258 0.86 APP (0.64) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL620114 0.84 ALOX15 (0.51) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL1267325 0.84 ALOX15 (0.96) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL2684521 0.84 ALOX15 (0.96) ALOX15TSHRCASP1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030175813-A1 Microplate thermal shift assay for ligand development using 5- (4\"-dimethylaminophenyl) -2- (4' -phenyl) oxazole derivative fluorescent dyes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-09-18 US claimed
US-6569631-B1 Measuring binding affinity of different molecules for a protein which is capable of unfolding due to temperature variations; use in high throughput drug screening 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-27 US claimed
US-20210063405-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2021-03-04 US disclosed
US-10866245-B2 Methods for dye selection for protein melt temperature determinations Life Technologies Corporation (US) 2020-12-15 US disclosed
US-20180348230-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2018-12-06 US disclosed
US-10024863-B2 Methods for dye selection for protein melt temperature determinations Life Technologies Corporation (US) 2018-07-17 US disclosed
US-20140315190-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2014-10-23 US disclosed
WO-2011051484-A1 FLUORESCENCE DYES GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENLICHEN RECHTS (DE) 2011-05-05 WO disclosed
US-20100025482-A1 COMPOSITION INCLUDING AN ITEM AND AN ENCODED OPTICAL IDENTIFICATION ELEMENT THAT IS PHYSICALLY ASSOCIATED WITH THE ITEM ILLUMINA CORPORATION (US) 2010-02-04 US disclosed
US-7623624-B2 Method and apparatus for labeling using optical identification elements characterized by X-ray diffraction ILLUMINA, INC. (US) 2009-11-24 US disclosed
US-20070121181-A1 Method and apparatus for labeling using optical identification elements characterized by X-ray diffraction CYVERA CORPORATION 2007-05-31 US disclosed
EP-1552475-A1 CHEMICAL SYNTHESIS USING DIFFRACTION GRATING-BASED ENCODED OPTICAL ELEMENTS Cyvera Corporation (US) 2005-07-13 EP disclosed
US-20040130761-A1 Chemical synthesis using diffraction grating-based encoded optical elements ILLUMINA, INC. 2004-07-08 US disclosed
WO-2004025561-A1 CHEMICAL SYNTHESIS USING DIFFRACTION GRATING-BASED ENCODED OPTICAL ELEMENTS CYVERA CORPORATION (US) 2004-03-25 WO disclosed
US-20030175813-A1 Microplate thermal shift assay for ligand development using 5- (4\"-dimethylaminophenyl) -2- (4' -phenyl) oxazole derivative fluorescent dyes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-20030175813-A1 Microplate thermal shift assay for ligand development using 5- (4\"-dimethylaminophenyl) -2- (4' -phenyl) oxazole derivative fluorescent dyes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-6569631-B1 Measuring binding affinity of different molecules for a protein which is capable of unfolding due to temperature variations; use in high throughput drug screening 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-27 US disclosed
US-6569631-B1 Measuring binding affinity of different molecules for a protein which is capable of unfolding due to temperature variations; use in high throughput drug screening 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-27 US disclosed
US-20020168686-A1 High throughput method for functionally classifying proteins identified using a genomics approach Life Technologies Corporation 2002-11-14 US disclosed
US-20010003648-A1 HIGH THROUGHPUT METHOD FOR FUNCTIONALLY CLASSIFYING PROTEINS IDENTIFIED USING A GENOMICS APPROACH 3-DIMENSIONAL PHARMACEUTICALS INC. 2001-06-14 US disclosed