SCHEMBL1108475

SCHEMBL1108475

CCCCc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR8 Q9NR97 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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 SCHEMBL6583725 0.97 NAAA (0.42) NAAAPDE4APDE4BPDE4CPDE4D
SCHEMBL30695113 0.97 NAAA (0.42) NAAAPDE4APDE4BPDE4CPDE4D
Phosphine SCHEMBL27566021 0.97 NAAA (0.42) NAAAPDE4APDE4BPDE4CPDE4D
Phosphine SCHEMBL27399691 0.95 NAAA (0.41) NAAAPDE4APDE4BPDE4CPDE4D
SCHEMBL87389 0.92 NAAA (0.47) NAAAL3MBTL1TDP1KCNH2TLR8
SCHEMBL15225261 0.90 NAAA (0.50) NAAAL3MBTL1TDP1KCNH2GPR84
SCHEMBL9819021 0.90 NAAA (0.50) NAAAL3MBTL1TDP1KCNH2GPR84
SCHEMBL7524061 0.90 NAAA (0.50) NAAAL3MBTL1TDP1KCNH2GPR84
SCHEMBL483412 0.90 NAAA (0.50) NAAAL3MBTL1TDP1KCNH2GPR84
Hydrogen Sulfide SCHEMBL28858234 0.90 NAAA (0.46) NAAAL3MBTL1TDP1KCNH2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114965774-A Method for detecting residues of 208 pesticides and metabolites thereof in aquatic products 江苏省淡水水产研究所 2022-08-30 CN claimed
CN-110087460-B Bacillus thuringiensis RTI545 compositions and methods of use for benefiting plant growth and controlling plant pests FMC 公司 2022-06-28 CN claimed
CN-114617136-A Microbial compositions and methods of use for promoting plant growth and treating plant diseases FMC有限公司 2022-06-14 CN claimed
CN-114467949-A Synergistic composition containing quinolone compounds and application thereof 山东省联合农药工业有限公司 2022-05-13 CN claimed
CN-114097794-A Synergistic composition containing pyrazole amide compounds 山东省联合农药工业有限公司 2022-03-01 CN claimed
CN-113980583-A Ultraviolet curing composition glue based on pyridine substituted acrylate compound and using method and application thereof 西安思摩威新材料有限公司 2022-01-28 CN claimed
CN-109152363-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-10-15 CN claimed
CN-108882704-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-09-10 CN claimed
CN-109254099-B Gas chromatography-mass spectrometry rapid determination method for non-registered components in pesticide preparation 中国测试技术研究院 2021-08-17 CN claimed
WO-2021113478-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO claimed
CN-112834647-A Method for determining 297 pesticide residues by combining pretreatment technology of high-oil complex matrix sample with GC-MSMS (gas chromatography-metal-semiconductor mass spectrometry) 中国检验检疫科学研究院 2021-05-25 CN claimed
CN-112674095-A Insecticidal acarid, pathogenic microorganism composition and application thereof 沈阳中化农药化工研发有限公司 2021-04-20 CN claimed
CN-107531700-B Mesoionic compounds 日本化药株式会社 2020-03-03 CN claimed
CN-103360324-A Novel pyrimidine derivatives and their use in perfume compositions INT FLAVORS & FRAGRANCES INC 2013-10-23 CN claimed
CN-103022556-A Lithium-ion battery and electrolyte thereof NINGDE AMPEREX TECHNOLOGY LTD 2013-04-03 CN claimed
EP-1794254-A2 PHOTONIC CRYSTAL, CONJUGATED POLYMERS SUITABLE FOR PHOTONIC CRYSTALS, AND A METHOD FOR SYNTHESIZING CONJUGATED POLYMERS THE UNIVERSITY OF AKRON (US) 2007-06-13 EP claimed
WO-2006023699-A2 PHOTONIC CRYSTAL, CONJUGATED POLYMERS SUITABLE FOR PHOTONIC CRYSTALS, AND A METHOD FOR SYNTHESIZING CONJUGATED POLYMERS UNIVERSITY OF AKRON (US) 2006-03-02 WO claimed
EP-0192297-B1 PROCESS FOR THE PREPARATION OF A 2-ALKYLPYRIMIDINE STAMICARBON B.V. (NL) 1990-09-19 EP claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
EP-0192297-A1 Process for the preparation of A 2-alkylpyrimidine STAMICARBON B.V. (NL) 1986-08-27 EP claimed