SCHEMBL3950859

SCHEMBL3950859

C1=c2ccc3c(c2CNC1)C=c1ccccc1=3

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
SCHEMBL5073558 0.73
SCHEMBL3953390 0.69
SCHEMBL6568381 0.66
SCHEMBL4849512 0.64
SCHEMBL1142615 0.62
SCHEMBL5071400 0.61
Hydrochloric Acid SCHEMBL5073485 0.60
SCHEMBL31303833 0.60
SCHEMBL4854095 0.59
SCHEMBL4854544 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO disclosed
EP-2050452-A1 indenoisoquinolines as topoisomerase inhibitors I useful as antineoplastic agents Purdue Research Foundation (US) 2009-04-22 EP disclosed
US-7495100-B2 Synthesis of indenoisoquinolines PURDUE RESEARCH FOUNDATION (US) 2009-02-24 US disclosed
US-7495100-B2 Synthesis of indenoisoquinolines PURDUE RESEARCH FOUNDATION (US) 2009-02-24 US disclosed
US-20060025595-A1 Synthesis of indenoisoquinolines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-02 US disclosed
US-20060025595-A1 Synthesis of indenoisoquinolines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-02 US disclosed
US-6509344-B1 A method for treating a patient having cancer, said method comprising the step of administering to the patient an effective amount of a compound according to claim 1, whereupon said patient is treated for cancer, and wherein the cancer is THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-21 US disclosed
EP-1123099-A4 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2002-08-21 EP disclosed
EP-1123099-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2001-08-16 EP disclosed
WO-2000021537-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-04-20 WO disclosed