SCHEMBL361472

SCHEMBL361472

Cc1cc(C)c(OCCN2CCNC2=O)c(C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.36
BRD4 O60885 1/20 0.36
SCN5A Q14524 2/20 0.36
POLB P06746 1/20 0.36
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
RAB9A P51151 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ALK Q9UM73 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL369223 0.86 HPGD (0.39) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL18533590 0.86 PDK2 (0.36) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL29932171 0.86 HPGD (0.39) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL365754 0.86 HPGD (0.39) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL14950441 0.86 KMT2A (0.40) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL14947221 0.85 BRD4 (0.35) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL2559429 0.84 SCN9A (0.39) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL18909902 0.81 PDK2 (0.39) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL18533577 0.80 PDK2 (0.38) SCN9AKMT2AMEN1SMN1; SMN2PDK2
SCHEMBL14947220 0.80 SCN9A (0.37) SCN9AKMT2AMEN1SMN1; SMN2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313823-B1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION MICHELIN & CIE (FR) 2022-11-09 EP disclosed
EP-3313822-B1 METHOD FOR SYNTHESIZING AROMATIC OXIMES MICHELIN & CIE (FR) 2022-09-14 EP disclosed
EP-3313822-A1 METHOD FOR SYNTHESIZING AROMATIC OXIMES Compagnie Générale des Etablissements Michelin (FR) 2018-05-02 EP disclosed
EP-3313823-A1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION Compagnie Générale des Etablissements Michelin (FR) 2018-05-02 EP disclosed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
WO-2016207263-A1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-12-29 WO disclosed
WO-2016207261-A1 METHOD FOR SYNTHESIZING AROMATIC OXIMES COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-12-29 WO disclosed
US-9394434-B2 Rubber composition containing a modified elastomer, method for preparing same, and tire containing same COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
US-9394434-B2 Rubber composition containing a modified elastomer, method for preparing same, and tire containing same COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 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-2593486-A1 RUBBER COMPOSITION COMPRISING MODIFIED ELASTOMER, PROCESS OF PREPARATION THEREOF AND TIRE CONTAINING RUBBER COMPOSTION Compagnie Générale des Etablissements Michelin (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
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
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-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