SCHEMBL748621

SCHEMBL748621

O=CCc1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.36
PTK2 Q05397 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14390909 0.83 POLB (0.36) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL22658219 0.82 POLB (0.37) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL4805813 0.81 XDH (0.35) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL23963738 0.77 CASP3 (0.35) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL7672653 0.77
SCHEMBL2782804 0.76 ADH1B (0.42) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL3643902 0.76 HTT (0.38) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL28307498 0.76 TACR1 (0.38) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL6205139 0.76 POLB (0.41) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL3183730 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076448-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127643-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-3116862-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-01-18 EP disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
EP-2863916-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (Syk) INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-04-29 EP disclosed
EP-2864289-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS Crown Bioscience Inc. (Taiwan) (CN) 2015-04-29 EP disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
EP-2757884-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
EP-2046783-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 WO disclosed
WO-2008002245-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-7189722-B2 Aryl spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-13 US disclosed
US-7189722-B2 Aryl spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-13 US disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed