SCHEMBL366499

SCHEMBL366499

O=C1NCCN1CCOc1ccccc1C#[N+][O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
SCN5A Q14524 2/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
PDK2 Q15119 1/20 0.41
BRD4 O60885 1/20 0.41
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29442025 1.00 SCN9A (0.42) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL15806410 0.88 PDK2 (0.43) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL19151129 0.85 SCN9A (0.41) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL18344264 0.85 ALDH1A1 (0.56) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL21925267 0.81 BRD4 (0.41) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL18932725 0.78 ALDH1A1 (0.43) HTR2CALDH1A1KMT2AMEN1KDM4E
SCHEMBL29053591 0.78 BRD4 (0.40) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL369219 0.77 BRD4 (0.43) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL366279 0.76 MEN1 (0.64) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL371151 0.72 HPGD (0.47) SCN9ASCN5ASCN2ASCN3ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3902791-B1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS MICHELIN & CIE (FR) 2023-02-08 EP disclosed
EP-3313823-B1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION MICHELIN & CIE (FR) 2022-11-09 EP disclosed
EP-4010321-A1 MOLECULE HAVING A NITRILE OXIDE FUNCTION ARKEMA FRANCE (FR) 2022-06-15 EP disclosed
CN-114174268-A Molecules having nitrile oxide functional groups 阿科玛法国公司 2022-03-11 CN disclosed
EP-3902791-A1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-11-03 EP disclosed
WO-2021023840-A1 MOLECULE HAVING A NITRILE OXIDE FUNCTION ARKEMA FRANCE (FR) 2021-02-11 WO disclosed
WO-2020136330-A1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
EP-3648988-A1 COMPOSITION ON THE BASIS OF AT LEAST ONE SPECIFIC POLYAROMATIC COMPOUND Compagnie Générale des Etablissements Michelin (FR) 2020-05-13 EP disclosed
EP-3648989-A1 POLYMER CARRYING SPECIFIC PENDANT IMIDAZOLIDINONE FUNCTIONAL GROUPS Compagnie Générale des Etablissements Michelin (FR) 2020-05-13 EP disclosed
EP-3649111-A1 POLYAROMATIC MOLECULE HAVING A NITRILE OXIDE FUNCTION Arkema France (FR) 2020-05-13 EP disclosed
US-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 US disclosed
US-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 US disclosed
EP-2593485-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Compagnie Générale des Etablissements Michelin (FR) 2013-05-22 EP disclosed
EP-2593437-A1 MOLECULES HAVING COMBINABLE GROUPS Arkema France (FR) 2013-05-22 EP disclosed
US-20130123418-A1 RUBBER COMPOSITION CONTAINING A MODIFED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-05-16 US disclosed
WO-2012007442-A1 RUBBER COMPOSITION CONTAINING A MODIFIED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2012-01-19 WO disclosed
WO-2012007441-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2012-01-19 WO disclosed
WO-2012007441-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2012-01-19 WO disclosed
WO-2012007684-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2012-01-19 WO disclosed
WO-2012007684-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2012-01-19 WO disclosed