SCHEMBL19859

SCHEMBL19859

O=[N+]([O-])c1c[c]ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.46
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GPR35 Q9HC97 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 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
SCHEMBL27817013 0.98 VCAM1 (0.44) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL231697 0.83 TSHR (0.48) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL57882 0.80 TSHR (0.40) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL3456576 0.79 VCAM1 (0.31) VCAM1
SCHEMBL6800906 0.78 TDP1 (0.38) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL2221806 0.77 HPGD (0.41) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL1028967 0.77 TDP1 (0.50) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL58127 0.77 HSD17B10 (0.54) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL710076 0.75 ALDH1A1 (0.47) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL1028675 0.75 GPR35 (0.47) TDP1TSHRMAPK1ALDH1A1CYP3A4

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

Appears in 2066 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290379-A Preparation method of novel agricultural multifunctional substance and application of novel agricultural multifunctional substance in aspects of resisting virus, inhibiting bacteria and promoting plant growth 贵州工业职业技术学院 2024-07-05 CN claimed
CN-117658933-A 1,2, 4-triazolol substituted benzenesulfonamide derivatives 贵阳学院 2024-03-08 CN claimed
US-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-09-28 US claimed
CN-114436909-B Sulfonyl sabinol derivative and preparation method and application thereof 河南科技大学 2023-05-30 CN claimed
EP-4180429-A1 PYRIMIDINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF AGAINST MYCOBACTERIUM TUBERCULOSIS INFECTION Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2023-05-17 EP claimed
CN-114436909-A Sulfonyl hinokitiol derivative and its prepn and application 河南科技大学 2022-05-06 CN claimed
CN-110240533-B Preparation method of N, N-dimethyl sulfonamide derivative 河南科技大学 2022-03-18 CN claimed
CN-114081890-A Application of pyrimidone derivatives in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2022-02-25 CN claimed
CN-111925368-B Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2021-11-05 CN claimed
CN-110627692-B Paeonol benzenesulfonylhydrazone and derivative thereof, preparation method of paeonol benzenesulfonylhydrazone and derivative thereof, botanical insecticide and application of botanical insecticide 河南科技大学 2021-09-24 CN claimed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO claimed
US-4876274-A INSECTICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-10-24 US claimed
EP-0128462-B1 NOVEL BENZOTHIAZEPINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1989-03-22 EP claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 US claimed
US-4061751-A 6-Substituted 3-nitroimidazo[1,2-b]pyridazine for the control of foot rot and liver lesions in ruminant animals AMERICAN CYANAMID COMPANY (US) 1977-12-06 US claimed
US-4060614-A 6-Substituted 3-nitroimidazo[1,2-b]pyridazine for the control of hemorrhagic colitis in swine AMERICAN CYANAMID COMPANY (US) 1977-11-29 US claimed
US-4046757-A 2-Optionally substituted alkyl-and phenylsulfonylphenyl-azo-phenyl dyes and a process for their synthesis SANDOZ LTD. (CH) 1977-09-06 US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 US claimed