SCHEMBL1025867

SCHEMBL1025867

O=[N+]([O-])c1[c]c[nH]n1

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
SCHEMBL2041076 0.59
SCHEMBL2886583 0.59
SCHEMBL2042116 0.59
SCHEMBL2042412 0.59
SCHEMBL2042928 0.57
SCHEMBL21544010 0.55
SCHEMBL11028700 0.53 MAPT (0.36)
SCHEMBL3277949 0.53 LMNA (0.33)
SCHEMBL8688932 0.53 TSHR (0.55)
SCHEMBL2888114 0.49

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed
EP-4038062-A1 N-(1H-IMIDAZOL-2-YL)BENZAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT Kainos Medicine, Inc. (KR) 2022-08-10 EP disclosed
CN-114466844-A N- (1H-imidazol-2-yl) benzamide compounds and pharmaceutical compositions containing the same as active ingredient 康佳诺医疗科技发展有限公司 2022-05-10 CN disclosed
WO-2021066559-A1 N-(1H-IMIDAZOL-2-YL)BENZAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT KAINOS MEDICINE, INC. (KR) 2021-04-08 WO disclosed
EP-2721036-B1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS TAKEDA GMBH (DE) 2015-07-22 EP disclosed
US-9018175-B2 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives TAKEDA GMBH (DE) 2015-04-28 US disclosed
EP-2813509-A1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives Takeda GmbH (DE) 2014-12-17 EP disclosed
EP-2513119-B1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES TAKEDA GMBH (DE) 2014-06-25 EP disclosed
US-20140113877-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C] ISOQUINOLINE COMPOUNDS TAKEDA GMBH (DE) 2014-04-24 US disclosed
EP-2721036-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS Takeda GmbH (DE) 2014-04-23 EP disclosed
WO-2012171903-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS NYCOMED GMBH (DE) 2012-12-20 WO disclosed
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
US-20120289474-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2012-11-15 US disclosed
EP-2513119-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES Nycomed GmbH (DE) 2012-10-24 EP disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 WO disclosed
WO-2011073231-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2011-06-23 WO disclosed
EP-2274983-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 EP disclosed
US-4833069-A Silver halide color photographic light-sensitive material comprising a specified cyan coupler combination and total film thickness KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-05-23 US disclosed
EP-0230975-A2 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1987-08-05 EP disclosed