SCHEMBL8545489

SCHEMBL8545489

O=C(O)Nn1cccn1

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
Hydrochloric Acid SCHEMBL4755774 0.98 ELANE (0.37)
SCHEMBL14801073 0.84 ELANE (0.34)
SCHEMBL402280 0.80
SCHEMBL5611586 0.80
SCHEMBL4308472 0.79 GLS (0.38)
SCHEMBL11214735 0.79 ALDH1A1 (0.40)
SCHEMBL9713098 0.78 CYP3A4 (0.49)
SCHEMBL1259259 0.78 MEN1 (0.51)
SCHEMBL9601627 0.77
SCHEMBL3644950 0.75 KMT2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193864-B Pyrazole-1-carboxylate derivatives, process for producing the same, and process for producing pyrazole derivatives SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2011-12-07 CN claimed
CN-101193864-A Pyrazole-1-carboxylate derivatives, process for producing the same, and process for producing pyrazole derivatives SAGAMI CHEM RES (JP) 2008-06-04 CN claimed
EP-0658547-B1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEM CORP (JP) 1998-03-11 EP claimed
EP-0658547-A1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-06-21 EP claimed
JP-7258219-A None JP disclosed
EP-4504341-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2025-02-12 EP disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
EP-2768509-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
CN-101193864-B Pyrazole-1-carboxylate derivatives, process for producing the same, and process for producing pyrazole derivatives SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2011-12-07 CN disclosed
CN-101193864-A Pyrazole-1-carboxylate derivatives, process for producing the same, and process for producing pyrazole derivatives SAGAMI CHEM RES (JP) 2008-06-04 CN disclosed
EP-0658547-B1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEM CORP (JP) 1998-03-11 EP disclosed
EP-0658547-B1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEM CORP (JP) 1998-03-11 EP disclosed
JP-H07258219-A N-PYRAZOLYLCARBAMATE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUBISHI CHEM CORP 1995-10-09 JP disclosed
EP-0658547-A1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-06-21 EP disclosed
EP-0658547-A1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-06-21 EP disclosed
EP-0658547-A1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-06-21 EP disclosed
EP-0043798-A1 Pyrazolyl carbamates and their use as pesticides CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed
EP-0043798-A1 Pyrazolyl carbamates and their use as pesticides CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed
EP-0043798-A1 Pyrazolyl carbamates and their use as pesticides CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed