SCHEMBL240459

SCHEMBL240459

NC(N)=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 1.00
NOS1 P29475 6/20 0.75
HGFAC Q04756 3/20 0.67
NOS3 P29474 4/20 0.66
NOS2 P35228 2/20 0.60
POLB P06746 1/20 0.58
ADRA2A P08913 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
TSHR P16473 1/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51

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
Hydrochloric Acid SCHEMBL7258089 0.98 PLAU (0.96) PLAUNOS1HGFACNOS3NOS2
Nitric Acid SCHEMBL3860515 0.96 PLAU (0.92) PLAUNOS1HGFACNOS3NOS2
SCHEMBL29358345 0.82 HGFAC (1.00) PLAUHGFACF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL30117920 0.81 HGFAC (0.97) PLAUHGFACF2PRSS1PRSS2
SCHEMBL16470336 0.78 PLAU (0.64) PLAUNOS1NOS3NOS2GRIN2D
SCHEMBL4869749 0.78 PLAU (0.64) PLAUNOS1HGFACNOS3NOS2
Iodide SCHEMBL8618701 0.78 NOS1 (1.00) PLAUNOS1HGFACNOS3NOS2
Nitric Acid SCHEMBL6033862 0.78 CA12 (0.72) PLAUNOS1HGFACNOS3NOS2
SCHEMBL3812219 0.77 HTR3E (0.77) PLAUHGFACPOLBF2PRSS1
Hydrochloric Acid SCHEMBL15527609 0.77 NOS1 (0.63) PLAUNOS1NOS3NOS2GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP claimed
EP-3621952-A1 METHOD FOR THE PRODUCTION OF PHENYLGUANIDINES OR THE SALTS THEREOF AlzChem Trostberg GmbH (DE) 2020-03-18 EP disclosed
WO-2018210633-A1 METHOD FOR THE PRODUCTION OF PHENYLGUANIDINES OR THE SALTS THEREOF ALZCHEM TROSTBERG GMBH (DE) 2018-11-22 WO disclosed
US-8753841-B2 Enzyme that catalyzes a peptide-forming reaction from a carboxy component and an amine component, microbe producing the same, and a method of producing a dipeptide using the enzyme or microbe AJINOMOTO CO., INC. (JP) 2014-06-17 US disclosed
US-20130122544-A1 ENZYME THAT CATALYZES A PEPTIDE-FORMING REACTION FROM A CARBOXY COMPONENT AND AN AMINE COMPONENT, MICROBE PRODUCING THE SAME, AND A METHOD OF PRODUCING A DIPEPTIDE USING THE ENZYME OR MICROBE AJINOMOTO CO., INC. (JP) 2013-05-16 US disclosed
US-8389241-B2 Enzyme that catalyzes a peptide-forming reaction from a carboxy component and an amine component, microbe producing the same, and a method of producing a dipeptide using the enzyme or microbe AJINOMOTO CO., INC. (JP) 2013-03-05 US disclosed
US-20130011873-A1 ENZYME THAT CATALYZES A PEPTIDE-FORMING REACTION FROM A CARBOXY COMPONENT AND AN AMINE COMPONENT, MICROBE PRODUCING THE SAME, AND A METHOD OF PRODUCING A DIPEPTIDE USING THE ENZYME OR MICROBE AJINOMOTO CO., INC. (JP) 2013-01-10 US disclosed
US-8329428-B2 Enzyme that catalyzes a peptide-forming reaction from a carboxy component and an amine component, microbe producing the same, and a method of producing a dipeptide using the enzyme or microbe AJINOMOTO CO., INC. (JP) 2012-12-11 US disclosed
US-20120003693-A1 NOVEL PEPTIDE-FORMING ENZYME GENE AJINOMOTO CO., INC. (JP) 2012-01-05 US disclosed
US-8039232-B2 Method for producing a dipeptide AJINOMOTO CO., INC. (JP) 2011-10-18 US disclosed
US-7338780-B2 Method for producing tripeptides and/or peptides longer than tripeptides AJINOMOTO CO., INC. (JP) 2008-03-04 US disclosed
US-20080050773-A1 NOVEL PEPTIDE-FORMING ENZYME GENE AJINOMOTO CO., INC. (JP) 2008-02-28 US disclosed
US-7288389-B2 Peptide-forming enzyme gene AJINOMOTO CO., INC. (JP) 2007-10-30 US disclosed
US-20050032187-A1 Novel peptide-forming enzyme, microbe producing the enzyme and method for producing peptide using them AJINOMOTO CO., INC. (JP) 2005-02-10 US disclosed
US-20050032154-A1 Method for producing tripeptides and/or peptides longer than tripeptides AJINOMOTO CO., INC. (JP) 2005-02-10 US disclosed
US-20050019864-A1 Novel peptide-forming enzyme gene AJINOMOTO CO., INC. (JP) 2005-01-27 US disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed
EP-0353218-A2 Method of producing lysplasminogen IMMUNO Aktiengesellschaft (AT) 1990-01-31 EP disclosed