SCHEMBL4464831

SCHEMBL4464831

[c]1nnc(-c2cnsn2)s1

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
SCHEMBL2997274 0.68
SCHEMBL17028970 0.67 KDM4E (0.33)
SCHEMBL5056726 0.64
SCHEMBL968554 0.63 KDM4E (0.57)
SCHEMBL19900526 0.61
SCHEMBL7937507 0.60
SCHEMBL15398809 0.60 CYP19A1 (0.32)
SCHEMBL8617407 0.59
SCHEMBL3140312 0.58
SCHEMBL2428375 0.57 KDM4E (0.46)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140941-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-20 EP claimed
CN-114621270-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-12 CN disclosed
CN-116615038-A Organic electroluminescent device and display device 清华大学 2023-08-18 CN disclosed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
EP-1742662-A2 COMBINATION OF PROSTAGLANDIN E2 RECEPTOR ANTAGONISTS AND RENIN-ANGIOTENSIN SYSTEM INHIBITORS FOR TREATING RENAL DISEASES Astellas Pharma Inc. (JP) 2007-01-17 EP disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
WO-2005105147-A2 COMBINATION OF PROSTAGLANDIN E2 RECEPTOR ANTAGONISTS AND RENIN-ANGIOTENSIN SYSTEM INHIBITORS FOR TREATING RENAL DISEASES ASTELLAS PHARMA INC. (JP) 2005-11-10 WO disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-6800760-B2 INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE CHIRON CORPORATION 2004-10-05 US disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed