SCHEMBL2864097

SCHEMBL2864097

N=C(N)c1cccc(-c2cc3ccccc3[nH]2)c1C(=N)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 12/20 0.52
PRSS1 P07477 12/20 0.52
PLAT P00750 11/20 0.52
PRSS2 P07478 9/20 0.52
PRSS3 P35030 9/20 0.52
KLKB1 P03952 7/20 0.52
F2 P00734 11/20 0.49
F10 P00742 10/20 0.49
PLG P00747 6/20 0.49
HPN P05981 3/20 0.49
ST14 Q9Y5Y6 2/20 0.49
F7 P08709 6/20 0.48
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28417878 0.80 KDR (0.49) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL29429330 0.77 F2 (0.59) PLAUPRSS1PLATPRSS2PRSS3
SCHEMBL419839 0.77 F2 (0.59) PLAUPRSS1PLATPRSS2PRSS3
Hydrochloric Acid SCHEMBL688900 0.76 F2 (0.58) PLAUPRSS1PLATPRSS2PRSS3
Hydrochloric Acid SCHEMBL29614824 0.76 F2 (0.58) PLAUPRSS1PLATPRSS2PRSS3
Hydrochloric Acid SCHEMBL29692564 0.76 F2 (0.58) PLAUPRSS1PLATPRSS2PRSS3
Hydrochloric Acid SCHEMBL1256806 0.76 F2 (0.58) PLAUPRSS1PLATPRSS2PRSS3
SCHEMBL2860216 0.76 KDR (0.54) PLAUPRSS1PLATPRSS2PRSS3
SCHEMBL31310116 0.76 KDR (0.54) PLAUPRSS1PLATPRSS2PRSS3
SCHEMBL29481126 0.75 KDR (0.50) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118993-A Application of MIF as target in preparation of medicine for monitoring or treating ischemic white matter injury 华中科技大学同济医学院附属同济医院 2025-06-10 CN disclosed
CN-119971151-A Myocardial tissue construct with bionic structure and function, and preparation method and application thereof 中国科学院上海硅酸盐研究所 2025-05-13 CN disclosed
CN-119925711-A Pre-neuronized cell patch capable of promoting myocardial tissue repair after myocardial infarction through nerve regulation and preparation method and application thereof 中国科学院上海硅酸盐研究所 2025-05-06 CN disclosed
CN-119345165-A Anti-glycation application of osmunda japonica ketone 上海家化联合股份有限公司 2025-01-24 CN disclosed
CN-118806771-A Application of tripterine in preparation of medicine for resisting diabetic nephropathy podocyte injury 上海市普陀区中心医院 2024-10-22 CN disclosed
CN-118161520-A Lipolytic composition using surface-modified gas-generating nanoparticles 超新星生物有限公司 2024-06-11 CN disclosed
CN-114807108-B Living cell surface functionalization based on dopamine polymerization and application 上海交通大学医学院附属仁济医院 2024-04-02 CN disclosed
CN-114828834-B Lipolytic composition using surface-modified gas-generating nanoparticles 超新星生物有限公司 2024-03-26 CN disclosed
CN-117230010-A Method for constructing in-vitro three-dimensional tumor model and application 安徽中医药大学 2023-12-15 CN disclosed
CN-116964070-A Peptide inhibitors of human mitochondrial fission protein 1 and methods of use 威斯康星州医药大学股份有限公司 2023-10-27 CN disclosed
US-5654432-A NAPHTHYLISOQUINOLINE ALKALOID ISOLATED FROM ANCISTROCLADUS SP. NOVUM VIA ORGANIC SOLVENT EXTRACTION, ACID-BASE PARTITIONING, CENTRIFUGAL PARTITION CHROMATOGRAPHY, AND HPLC USING AN AMINO-BONDED PHASE COLUMN; VIRICIDE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-08-05 US disclosed
EP-0695294-A1 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-07 EP disclosed
US-5455251-A Treatment of AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-10-03 US disclosed
WO-1994024108-A1 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-10-27 WO disclosed
EP-0594795-A1 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS, COMPOSITION AND METHOD OF TREATMENT THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1994-05-04 EP disclosed
EP-0594795-A4 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS, COMPOSITION AND METHOD OF TREATMENT. US SECRETARY UNITED STATES DEP (US) 1993-12-07 EP disclosed
EP-0527774-A4 CALCITONIN GENE RELATED PEPTIDE FOR THE TREATMENT OF UNDESCENDED TESTICLES 1993-03-31 EP disclosed
EP-0527774-A1 CALCITONIN GENE RELATED PEPTIDE FOR THE TREATMENT OF UNDESCENDED TESTICLES THE UNIVERSITY OF MELBOURNE (AU) 1993-02-24 EP disclosed
WO-1992018125-A1 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS, COMPOSITION AND METHOD OF TREATMENT THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-10-29 WO disclosed
WO-1991015246-A1 CALCITONIN GENE RELATED PEPTIDE FOR THE TREATMENT OF UNDESCENDED TESTICLES THE UNIVERSITY OF MELBOURNE (AU) 1991-10-17 WO disclosed