SCHEMBL3226923

SCHEMBL3226923

O=CC(Br)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KCNN4 O15554 2/20 0.43
KCNA5 P22460 2/20 0.43
CYP19A1 P11511 2/20 0.43
TBXAS1 P24557 2/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL23539519 1.00 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL19839913 0.98 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL15974947 0.98 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Bromide SCHEMBL1456853 0.98 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL140368 0.79 CFTR (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
Bromide SCHEMBL7807879 0.79 CYP2A6 (0.48) CYP19A1CYP17A1
SCHEMBL6587864 0.76
SCHEMBL30141488 0.76
SCHEMBL2493545 0.76 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL7259125 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
CN-110003196-A Protease inhibitor compounds and pharmaceutical compositions thereof 东莞市恩联干细胞生物科技研究院 2019-07-12 CN disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
CN-107987062-A Hepatitis C virus inhibitor and its pharmaceutical applications 常州寅盛药业有限公司 2018-05-04 CN disclosed
CN-107759573-A Hepatitis C virus inhibitor and its pharmaceutical applications 常州寅盛药业有限公司 2018-03-06 CN disclosed
CN-106459009-B Hepatitis C virus inhibitor and pharmaceutical application thereof 常州寅盛药业有限公司 2018-02-13 CN disclosed
CN-104136431-B Pyridone and pyrimidone derivatives as plasma thromboplastin antecedent a inhibitor 小野药品工业株式会社 2017-03-15 CN disclosed
CN-106459009-A Hepatitis C virus inhibitor and pharmaceutical application thereof 常州寅盛药业有限公司 2017-02-22 CN disclosed
WO-2014074675-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
CN-103130792-A 2-aminothiazoles compound JIANGSU CHIA TAI TIANQING PHAR 2013-06-05 CN disclosed
WO-2013028382-A1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO disclosed
CN-101747330-B Pyridyl thiazole amine compound and medicinal composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 CN disclosed
CN-101747330-A Pyridyl thiazole amine compound and medicinal composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2010-06-23 CN disclosed
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed