SCHEMBL18479

SCHEMBL18479

O=[N+]([O-])c1[c]c([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
TSHR P16473 3/20 0.48
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.43
KMT2A Q03164 3/20 0.43
VCAM1 P19320 1/20 0.43
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GPR35 Q9HC97 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL908704 0.84 ALDH1A1 (0.48) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL7274798 0.84 TSHR (0.50) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL909296 0.84 TSHR (0.45) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL11316254 0.84 ALDH1A1 (0.45) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL10332372 0.80 TSHR (0.41) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL909884 0.80 VCAM1 (0.50) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL28113437 0.80 LOXL2 (0.46) CYP19A1TSHRALDH1A1HTTVCAM1
SCHEMBL1531199 0.80 CYP19A1 (0.39) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL10967569 0.80 HTT (0.46) CYP19A1TSHRALDH1A1LMNAMEN1
SCHEMBL11099430 0.78 MAPK1 (0.47) CYP19A1TSHRALDH1A1LMNAMEN1

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 2338 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
WO-2024102956-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2024-05-16 WO claimed
US-20240109870-A1 COVALENT IMMUNE RECRUITER COMPOUNDS FOR IMMUNE CELL RECOGNITION AND ASSOCIATED USES MCMASTER UNIVERSITY (CA) 2024-04-04 US claimed
WO-2023215725-A1 COMPOSITIONS AND METHODS FOR CELLULAR IMMUNOTHERAPY FRED HUTCHINSON CANCER CENTER (US) 2023-11-09 WO claimed
WO-2023205669-A2 DUAL AND TRIPLE HAPTEN CONJUGATES, COMPOSITIONS, PROCESSES FOR MAKING, AND METHODS OF TREATMENT THEREWITH PURDUE RESEARCH FOUNDATION (US) 2023-10-26 WO claimed
CN-109285956-B Organic light emitting device 三星显示有限公司 2023-04-07 CN claimed
CN-114989519-A Application of cycloolefin polymer in long afterglow material 重庆理工大学 2022-09-02 CN claimed
EP-3362501-B1 POLYROTAXANES BEARING MIXED CYCLODEXTRIN SPECIES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2022-06-08 EP claimed
CN-114203937-A Arylamine compound, light-emitting device including same, and electronic apparatus including light-emitting device 三星显示有限公司 2022-03-18 CN claimed
US-20210393786-A1 SMALL MOLECULE LIGAND-TARGETED DRUG CONJUGATES FOR ANTI-INFLUENZA CHEMOTHERAPY AND IMMUNOTHERAPY PURDUE RESEARCH FOUNDATION 2021-12-23 US claimed
US-4468470-A IMMUNOASSAY STICHTING CENTRAAL LABORATORIUM VAN DE BLOEDTRANSFUSIEDIENST VAN HET NEDERLANDSE RODE KRUIS (NL) 1984-08-28 US claimed
EP-0113501-A1 Antioxidants for plastics EUROPEAN ATOMIC ENERGY COMMUNITY (EURATOM) (LU) 1984-07-18 EP claimed
US-4430326-A Method of diminishing glucose levels resulting from endogenous glucagon UNIVERSITY PATENTS, INC. (US) 1984-02-07 US claimed
EP-0064318-A1 A method and a kit for the assay of antibodies to soluble antigens Stichting Centraal Laboratorium van de Bloedtransfusiedienst van het Nederlandse Rode Kruis (NL) 1982-11-10 EP claimed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US claimed
US-4242509-A Process for producing 7-amino-7-alkoxycephalosporins ELI LILLY AND COMPANY (US) 1980-12-30 US claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-4145538-A 3-Carbamyloxymethyl-cephalosporins ELI LILLY AND COMPANY (US) 1979-03-20 US claimed
US-4029676-A ANTIADRENERGIC, ANTIFIBRILLATORY E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US claimed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US claimed