SCHEMBL8538434

SCHEMBL8538434

Cn1c([N+](=O)[O-])cnc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
THRB P10828 2/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 4/20 0.36
GLA P06280 1/20 0.36
RAD52 P43351 1/20 0.36
PAX8 Q06710 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
SCHEMBL16324628 0.84 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11615284 0.82 LMNA (0.42) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11732763 0.82 LMNA (0.48) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL15177300 0.81 LMNA (0.41) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11477968 0.80 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL14626532 0.80 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11477962 0.80 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
Ammonia Solution, Strong SCHEMBL29200990 0.80 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11614983 0.79 LMNA (0.46) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11347175 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535528-A1 Antibacterial 5-Nitro-1-methyl-imidazolyl-3-terbutyl-2-hydroxy-aryl-carbinols EURORESEARCH S.r.L. (IT) 1993-04-07 EP claimed
EP-0103100-B1 1-METHYL-5-NITRO-IMIDAZOLINE DERIVATIVES AND THERAPEUTIC COMPOSITIONS WHICH CONTAIN THEM AS ACTIVE PRINCIPLE EURORESEARCH S.R.L. (IT) 1987-10-07 EP claimed
EP-0103100-A1 1-Methyl-5-nitro-imidazoline derivatives and therapeutic compositions which contain them as active principle EURORESEARCH S.R.L. (IT) 1984-03-21 EP claimed
US-3952007-A Processes for preparing 5-nitro-1-methyl-2-(2-dialkylaminovinyl)-imidazole and 5-nitro-1-methyl-2-imidazolyl carboxaldehyde SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 US claimed
JP-5194413-A None JP disclosed
CN-118542865-A Nitroimidazole compound, pharmaceutical composition and application 武汉盛云生物医药科技有限责任公司 2024-08-27 CN disclosed
CN-114380816-B Nitroimidazole compound, pharmaceutical composition and application 武汉盛云生物医药科技有限责任公司 2024-04-26 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108586434-B Application of indole-2-ketone compound in antibacterial aspect 四川大学 2020-10-02 CN disclosed
WO-2012065527-A1 COMPOUDS AND USES AS L-TYPE CALCIUM CHANNEL BLOCKER AND/OR ACETYLCHOLINESTERASE INHIBITOR THEREOF 江苏先声药物研究有限公司 (CN) 2012-05-24 WO disclosed
JP-H05194413-A 5-NITRO-1-METHYL-IMIDAZOLYL-3-TERT-BUTYL-2-HYDROXY-ARYL CARBINOL, AND PRODUCTION OF ITS PREPARATIONS, AND ASSOCIATED THERAPEUTIC COMPOSITION EURORESEARCH SRL 1993-08-03 JP disclosed
EP-0535528-A1 Antibacterial 5-Nitro-1-methyl-imidazolyl-3-terbutyl-2-hydroxy-aryl-carbinols EURORESEARCH S.r.L. (IT) 1993-04-07 EP disclosed
US-3980794-A Method for promoting growth of poultry with 3-(5-nitro-2-imidazolyl)pyrazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed
US-3973019-A Pharmaceutical compositions containing 1,4-bis-(5'-nitroimidazolyl-2'-methylene-imino) piperazine compounds for treating protozoal diseases and methods for treating such diseases HOECHST AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed
US-3969520-A 2-Amino-4[2-(1-lower alkyl-5-nitro-2-imidiazolyl)vinyl]pyrimidines for treating protozoal and bacterial infections ISTITUTO CHEMIOTERAPICO ITALIANO S.P.A. (IT) 1976-07-13 US disclosed
US-3960882-A IMIDAZOLYLPROPENOIC ACID ESTER MONTANARI ROBERTO 1976-06-01 US disclosed
US-3952007-A Processes for preparing 5-nitro-1-methyl-2-(2-dialkylaminovinyl)-imidazole and 5-nitro-1-methyl-2-imidazolyl carboxaldehyde SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3952007-A Processes for preparing 5-nitro-1-methyl-2-(2-dialkylaminovinyl)-imidazole and 5-nitro-1-methyl-2-imidazolyl carboxaldehyde SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951963-A 0-(Substituted-aminoalkyl)-5-nitroimidazole-(2)-aldoximes HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3947467-A ANTIBACTERIAL, ANTIPROTOZOAL, ANTIFUNGAL ELI LILLY AND COMPANY (US) 1976-03-30 US disclosed