SCHEMBL26325

SCHEMBL26325

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 4/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
GPR35 Q9HC97 2/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
Water SCHEMBL28995322 0.98 TSHR (0.46) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL4734255 0.83 MEN1 (0.64) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL6190789 0.80 LMNA (0.52) TSHRLMNAALDH1A1TDP1ACHE
Edetic Acid SCHEMBL28237466 0.80 KCNH2 (0.41) TSHRLMNAALDH1A1TDP1ALOX15
SCHEMBL9206594 0.79 CA12 (0.44) LMNAALDH1A1TDP1HSD17B10ACHE
SCHEMBL441113 0.77 TSHR (0.45) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL6904635 0.77 ALDH1A1 (0.44) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL3044183 0.77 ALDH1A1 (0.44) TSHRLMNAALDH1A1HSD17B10ALOX15
SCHEMBL590426 0.77 TDP1 (0.44) TSHRLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL2131010 0.77 S100A4 (0.34) TSHRLMNAALDH1A1TDP1S100A4

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 17129 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
US-20240197898-A1 SUBSTITUTED BENZO[5,6][1,4]DIAZEPINO[1,2-a]INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS IMMUNOGEN, INC. 2024-06-20 US claimed
WO-2024121335-A1 SYNTHESIS OF SULFOXIMINE COMPOUNDS HAVING A STEREOGENIC SULFUR ATOM SYNGENTA CROP PROTECTION AG (CH) 2024-06-13 WO claimed
CN-118176191-A Synthesis method of rivaroxaban 浙江华海药业股份有限公司 2024-06-11 CN claimed
WO-2024114776-A1 BICYCLIC ABASIC NUCLEIC ACID ANALOGS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM 上海舶望制药有限公司 2024-06-06 WO claimed
CN-118139627-A Conjugates, compositions and methods for rejuvenating CAR T cells 普渡研究基金会 2024-06-04 CN claimed
CN-116283823-B Synthesis method and application of dehydroabietyl B-cyclobenzothiazole-aniline and diphenylamine compound 广西医科大学 2024-04-19 CN claimed
US-20240123045-A1 NONAUTOLOGOUS MULTI-STRESSED CANCER CELLS AND USES THEREOF FOR VACCINATING AND TREATING CANCERS BRENUS PHARMA (FR) 2024-04-18 US claimed
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
US-20240084395-A1 SINGLE-STRANDED OLIGONUCLEOTIDE PROBES FOR CHROMOSOME OR GENE COPY ENUMERATION VENTANA MED SYST INC (US) 2024-03-14 US claimed
US-4083835-A Coating processes, compositions and substrates coated with maleic anhydride copolymers having the anhydride moieties reacted with hydrozine or its derivatives BASF AKTIENGESELLSCHAFT (DT) 1978-04-11 US claimed
US-4062842-A Method for preparing 7-substituted cephalosporins and 6-substituted penicillins by replacement of sulfur-containing groups E. R. SQUIBB & SONS, INC. (US) 1977-12-13 US claimed
US-4024121-A (Pyro)-Glu-His-Trp-D-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHR and intermediates SCHALLY ANDREW VICTOR 1977-05-17 US claimed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US claimed
US-4010156-A Process for the rearrangement of penicillins to cephalosporins and intermediate compounds thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-01 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-4000301-A Fungicidal use of 4-alkoxypyrazoles AMERICAN CYANAMID COMPANY (US) 1976-12-28 US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 US claimed
US-3983097-A Method of producing high molecular derivatives OKUBO TSUNEO 1976-09-28 US claimed
US-3953422-A Deoxyglucose derivatives SMITHKLINE CORPORATION (US) 1976-04-27 US claimed