SCHEMBL528518

SCHEMBL528518

O=Cc1c2c(cc3c1=c1ccccc1=N3)=c1ccccc1=N2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL528426 0.81 PADI4 (0.31)
SCHEMBL17583240 0.74 KDM4E (0.32)
SCHEMBL550600 0.69
SCHEMBL29880377 0.66
SCHEMBL9959990 0.65
SCHEMBL191345 0.62 ALDH1A1 (0.30)
SCHEMBL9435018 0.62
SCHEMBL17766689 0.60
SCHEMBL554571 0.60
SCHEMBL3622298 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024253957-A1 TARGETING AUTOIMMUNITY-ASSOCIATED T CELLS THROUGH REGULATION OF TRANSCRIPTION FACTORS NORTHWESTERN UNIVERSITY (US) 2024-12-12 WO claimed
EP-4441205-A1 METHODS AND COMPOSITIONS FOR MAINTAINING AND EXPANDING HEMATOPOIETIC STEM CELLS Trailhead Biosystems Inc. (US) 2024-10-09 EP claimed
CN-118302519-A Methods and compositions for maintaining and expanding hematopoietic stem cells 特雷尔赫德生物系统股份有限公司 2024-07-05 CN claimed
WO-2023101943-A1 METHODS AND COMPOSITIONS FOR MAINTAINING AND EXPANDING HEMATOPOIETIC STEM CELLS TRAILHEAD BIOSYSTEMS INC. (US) 2023-06-08 WO claimed
US-20230167408-A1 METHODS AND COMPOSITIONS FOR MAINTAINING AND EXPANDING HEMATOPOIETIC STEM CELLS TRAILHEAD BIOSYSTEMS INC. 2023-06-01 US claimed
US-11596657-B2 Use of AhR agonist for the preventive or curative treatment of metabolic syndrome and the associated disorders INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2023-03-07 US claimed
US-11547725-B2 Anti-cancer T cells and their preparation using coenzyme A UNIVERSITY HEALTH NETWORK (CA) 2023-01-10 US claimed
US-20220143143-A1 USE OF ACTIVATORS OF THE ARYL HYDROCARBON RECEPTOR FOR TREATING GLUTEN-INDUCED GASTROINTESTINAL DISEASES UNIV MCMASTER (CA) 2022-05-12 US claimed
WO-2022094174-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ESOPHAGEAL CONDITIONS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-05-05 WO claimed
EP-3920908-A1 USE OF ACTIVATORS OF THE ARYL HYDROCARBON RECEPTOR FOR TREATING GLUTEN-INDUCED GASTROINTESTINAL DISEASES McMaster University (CA) 2021-12-15 EP claimed
US-20110262457-A1 MODULATION OF THE IMMUNE RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US claimed
EP-2276833-A1 MODULATION OF THE IMMUNE RESPONSE The Brigham and Women's Hospital, Inc. (US) 2011-01-26 EP claimed
US-20100324109-A1 Composition for Topical Use THESAN PHARMACEUTICALS, INC. 2010-12-23 US claimed
US-7855310-B2 AH receptor antagonists SYMRISE GMBH & CO. KG (DE) 2010-12-21 US claimed
EP-2237775-A1 COMPOSITION FOR TOPICAL USE Saurat, Jean Hilaire (CH) 2010-10-13 EP claimed
EP-2224921-A2 MODULATION OF THE IMMUNE RESPONSE The Brigham and Women's Hospital, Inc. (US) 2010-09-08 EP claimed
WO-2009117597-A1 MODULATION OF THE IMMUNE RESPONSE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-09-24 WO claimed
WO-2009093207-A1 COMPOSITION FOR TOPICAL USE SAURAT JEAN HILAIRE (CH) 2009-07-30 WO claimed
EP-2082736-A1 Pharmaceutical composition for local use Saurat, Jean Hilaire (CH) 2009-07-29 EP claimed
WO-2009067349-A2 MODULATION OF THE IMMUNE RESPONSE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-05-28 WO claimed