SCHEMBL645653

SCHEMBL645653

N#Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 1.00
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
GRIN3A Q8TCU5 1/20 0.51
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
GPR35 Q9HC97 1/20 0.47
MERTK Q12866 2/20 0.46

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
SCHEMBL9899802 0.87 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15408517 0.87 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15413658 0.87 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7575461 0.87 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25258938 0.83 VCAM1 (0.70) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10951429 0.81 VCAM1 (0.68) VCAM1HPGDTDP1ALOX15TSHR
SCHEMBL16387399 0.80 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14637726 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8409766 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2085369 0.79 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962826-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2015-02-24 US claimed
EP-2123635-B1 METHOD FOR PRODUCTION OF LAUROLACTAM UNIV NAGOYA NAT UNIV CORP (JP) 2013-06-05 EP claimed
US-8309714-B2 Process for producing laurolactam UBE INDUSTRIES, LTD. (JP) 2012-11-13 US claimed
US-8163899-B2 Process for producing laurolactam NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-04-24 US claimed
US-20100324283-A1 PROCESS FOR PRODUCING LAUROLACTAM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-12-23 US claimed
US-20100267944-A1 PROCESS FOR PRODUCING LAUROLACTAM UBE INDUSTRIES, LTD. (JP) 2010-10-21 US claimed
EP-2223911-A1 METHOD FOR PRODUCTION OF LAUROLACTAM Ube Industries, Ltd. (JP) 2010-09-01 EP claimed
EP-2123635-A1 METHOD FOR PRODUCTION OF LAUROLACTAM National University Corporation Nagoya University (JP) 2009-11-25 EP claimed
EP-0180057-B1 PROCESS FOR THE PREPARATION OF HALO AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 1989-08-09 EP claimed
EP-0180057-A1 Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-07 EP claimed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US claimed
US-3941853-A HIGH ENERGY EXPLOSIVE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-03-02 US claimed
JP-8198835-A None JP disclosed
EP-2738161-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-04-11 EP disclosed
EP-2738162-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-01-03 EP disclosed
EP-2872514-B1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US disclosed
US-3941853-A HIGH ENERGY EXPLOSIVE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-03-02 US disclosed