SCHEMBL2011167

SCHEMBL2011167

Cc1nc(-c2ccc(O)cc2)sc1C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.79
KDM4E B2RXH2 4/20 0.79
GAA P10253 3/20 0.79
SMN1; SMN2 Q16637 5/20 0.76
NPC1 O15118 2/20 0.74
POLB P06746 1/20 0.74
TARBP2 Q15633 1/20 0.60
XDH P47989 2/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.51
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50

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
Hydrochloric Acid SCHEMBL29199947 0.98 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL892234 0.88 RAB9A (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8867051 0.87 RAB9A (0.79) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL15656858 0.87 RAB9A (0.74) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL289112 0.87 SMN1; SMN2 (0.93) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL1327631 0.86 SMN1; SMN2 (1.00) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL8339818 0.85 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL12970049 0.85 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL3436647 0.85 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL14018508 0.85 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572272-B Preparation method of febuxostat and aldehyde ester intermediate thereof 湖北华世通生物医药科技有限公司 2024-05-07 CN claimed
CN-115572272-A Preparation method of febuxostat and aldehyde ester intermediate thereof 湖北华世通生物医药科技有限公司 2023-01-06 CN claimed
CN-106518802-B A kind of synthetic method of 2- (3- aldehyde radical -4- hydroxy phenyls) -4- methylthiazole-5-carboxylates 山东铂源药业有限公司 2018-11-09 CN claimed
CN-106518802-A Synthesis method of ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate 山东铂源药业有限公司 2017-03-22 CN claimed
CN-104418823-A Preparation method of febuxostat intermediate KNOWSHINE SHANGHAI PHARMACHEMICALS INC 2015-03-18 CN claimed
EP-1651624-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES ABBVIE INC (US) 2015-03-11 EP claimed
CN-101665471-B Preparation method of febuxostat intermediate UNIV CHINA PHARMA 2011-08-10 CN claimed
CN-101665471-A Preparation method of febuxostat intermediate UNIV CHINA PHARMA 2010-03-10 CN claimed
CN-115572272-B Preparation method of febuxostat and aldehyde ester intermediate thereof 湖北华世通生物医药科技有限公司 2024-05-07 CN disclosed
CN-115572272-A Preparation method of febuxostat and aldehyde ester intermediate thereof 湖北华世通生物医药科技有限公司 2023-01-06 CN disclosed
CN-109503513-A A kind of \" one kettle way \" synthetic method of Febustat intermediate 嘉实(湖南)医药科技有限公司 2019-03-22 CN disclosed
CN-109503513-A A kind of \" one kettle way \" synthetic method of Febustat intermediate 嘉实(湖南)医药科技有限公司 2019-03-22 CN disclosed
CN-109354584-A The method of one pot process 2- (4- hydroxy phenyl) -4- methyl-1,3-thiazole-5-carboxylic acid ethyl ester 湖北理工学院 2019-02-19 CN disclosed
CN-109320474-A A kind of preparation method of Febustat 昆明源瑞制药有限公司 2019-02-12 CN disclosed
CN-101665471-A Preparation method of febuxostat intermediate UNIV CHINA PHARMA 2010-03-10 CN disclosed
CN-101665471-A Preparation method of febuxostat intermediate UNIV CHINA PHARMA 2010-03-10 CN disclosed
CN-101374834-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-02-25 CN disclosed
EP-1651624-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES Abbott Laboratories (US) 2006-05-03 EP disclosed
WO-2005012273-A3 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES ABBOTT LAB (US) 2005-05-12 WO disclosed
WO-2005012273-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLES ABBOTT LABORATORIES (US) 2005-02-10 WO disclosed