SCHEMBL5878432

SCHEMBL5878432

O=[N+]([O-])c1cncn1CCO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.41
ATM Q13315 3/20 0.36
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
QPCTL Q9NXS2 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TDO2 P48775 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
ADORA2B P29275 1/20 0.31

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
Cyclopropane SCHEMBL27295473 0.84 ALDH1A1 (0.37) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL28060400 0.82 LMNA (0.35) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11617013 0.82 LMNA (0.38) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL9467304 0.82 LMNA (0.35) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL16328893 0.82 LMNA (0.37) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11616890 0.79 ALDH1A1 (0.36) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL27381848 0.78 ALDH1A1 (0.33) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11618755 0.78 ALDH1A1 (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11882011 0.78 ALDH1A1 (0.38) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL28050025 0.77 ALDH1A1 (0.42) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104650839-A Oil field corrosion inhibition bactericide and preparation method thereof CHINA NAT OFFSHORE OIL CORP 2015-05-27 CN claimed
EP-0324691-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1991-12-27 EP claimed
US-4925952-A Process for preparing 1-hydroxyalkyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US claimed
CN-1035288-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC SANTE (FR) 1989-09-06 CN claimed
CN-105979933-A Pharmaceutical preparation, method for the production thereof and use thereof 因凡瑞斯有限公司 2016-09-28 CN disclosed
CN-105348200-A Environment-friendly method for metronidazole synthesis WUHAN WUYAO PHARMACEUTICAL CO LTD 2016-02-24 CN disclosed
CN-104650839-A Oil field corrosion inhibition bactericide and preparation method thereof CHINA NAT OFFSHORE OIL CORP 2015-05-27 CN disclosed
CN-103476926-A Compositions and methods for improved isoprene production using two types of IspG enzymes DANISCO US INC 2013-12-25 CN disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
CN-103403145-A Biological production of pentose sugars using recombinant cells DANISCO US INC 2013-11-20 CN disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-4925950-A Process for preparing 1-hydroxyalkyl-5-nitroimidazole RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
US-4925951-A Process for preparing 1-hydroxyalkyl-2-methyl-5-nitroimidazoles RHONE-POULENC SANTE (FR) 1990-05-15 US disclosed
CN-1035288-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC SANTE (FR) 1989-09-06 CN disclosed
CN-1035289-A The preparation method of 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1989-09-06 CN disclosed
CN-1035111-A Hydroxyalkyl agent preparation method, gained new preparation and application thereof like this RHONE POULENC SANTE (FR) 1989-08-30 CN disclosed
US-4080340-A Nitroimidazoles MERCK & CO., INC. (US) 1978-03-21 US disclosed
US-4010176-A Isoxazole substituted nitroimidazoles MERCK & CO., INC. (US) 1977-03-01 US disclosed
US-3910925-A {8 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl{9 benzo(b)pyridyloxy ethers SEARLE & CO 1975-10-07 US disclosed