SCHEMBL203312

SCHEMBL203312

Nc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.46
VCAM1 P19320 1/20 0.44
DHFR P00374 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
PDE7A Q13946 5/20 0.41
PDE7B Q9NP56 1/20 0.41
AHR P35869 1/20 0.41
CHUK O15111 1/20 0.41
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9367583 0.82 TDP1 (0.48) INPPL1DHFRTSHRMAPK1ALDH1A1
SCHEMBL30467812 0.82 TDP1 (0.48) INPPL1DHFRTSHRMAPK1ALDH1A1
SCHEMBL113455 0.82 MAPK1 (0.44) VCAM1TSHRMAPK1ALDH1A1PDE7A
SCHEMBL29445407 0.82 MAPK1 (0.44) VCAM1TSHRMAPK1ALDH1A1PDE7A
SCHEMBL2981349 0.81 INPPL1 (0.57) INPPL1DHFRTSHRMAPK1ALDH1A1
SCHEMBL30122384 0.80 TDP1 (0.52) TSHRMAPK1ALDH1A1CYP3A4AHR
SCHEMBL12161659 0.80 MAPK1 (0.42) VCAM1TSHRMAPK1ALDH1A1PDE7A
SCHEMBL986221 0.80 TDP1 (0.52) TSHRMAPK1ALDH1A1CYP3A4AHR
SCHEMBL203876 0.78 KMT2A (0.50) INPPL1DHFRTSHRALDH1A1CYP3A4
SCHEMBL3840189 0.78 TDP1 (0.41) INPPL1DHFRTSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 CN claimed
EP-4249489-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF Lg Chem, Ltd. (KR) 2023-09-27 EP disclosed
CN-108250196-B Process for the preparation of (piperazin-1-yl) -1-hydro-imidazoheteroaromatic compounds 上海汇伦医药股份有限公司 2022-12-30 CN disclosed
EP-3243385-B1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
CN-109956927-A Benzimidazoles derivative, preparation method and its in application pharmaceutically 北京诺诚健华医药科技有限公司 2019-07-02 CN disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 EP disclosed
EP-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 EP disclosed
EP-0743855-A1 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
WO-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
WO-1995018616-A2 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARM INC (US) 1995-07-13 WO disclosed
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-3996352-A Acaricidal compositions of phosphoramidate esters VELSICOL CHEMICAL CORPORATION (US) 1976-12-07 US disclosed
US-3968116-A HERBICIDE ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed
US-3963734-A HERBICIDES, HERBICIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1976-06-15 US disclosed
US-3962263-A HERBICIDES ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed