SCHEMBL18344264

SCHEMBL18344264

N#Cc1ccccc1OCCN1CCNC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTR2C P28335 1/20 0.54
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SCN9A Q15858 3/20 0.43
SCN5A Q14524 2/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
PDK2 Q15119 1/20 0.43
TP53 P04637 1/20 0.42
ALK Q9UM73 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39

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 0.85 SCN9A (0.42) ALDH1A1HTR2CMEN1KMT2ASCN9A
SCHEMBL15806410 0.85 PDK2 (0.43) ALDH1A1HTR2CMEN1KMT2ASCN9A
SCHEMBL366499 0.85 SCN9A (0.42) ALDH1A1HTR2CMEN1KMT2ASCN9A
SCHEMBL19151129 0.83 SCN9A (0.41) ALDH1A1HTR2CMEN1KMT2ASCN9A
SCHEMBL21064986 0.83 ALK (0.40) ALDH1A1HTR2CMEN1KMT2ASCN9A
SCHEMBL29530880 0.79 MEN1 (0.64) ALDH1A1HTR2CMEN1KMT2AUSP2
SCHEMBL366279 0.78 MEN1 (0.64) ALDH1A1MEN1KMT2ASCN9ASCN5A
SCHEMBL20610112 0.78 BRD4 (0.40) ALDH1A1HTR2CSCN9ASCN5ASCN2A
SCHEMBL21065043 0.78 SCN9A (0.38) ALDH1A1HTR2CSCN9ASCN5ASCN2A
SCHEMBL20630787 0.78 SCN9A (0.39) ALDH1A1HTR2CMEN1KMT2ASCN9A

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 18 patents. 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-4010321-A1 MOLECULE HAVING A NITRILE OXIDE FUNCTION ARKEMA FRANCE (FR) 2022-06-15 EP disclosed
EP-3902791-A1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-11-03 EP disclosed
EP-3648989-B1 POLYMER CARRYING SPECIFIC PENDANT IMIDAZOLIDINONE FUNCTIONAL GROUPS MICHELIN & CIE (FR) 2021-04-21 EP disclosed
EP-3648988-B1 COMPOSITION ON THE BASIS OF AT LEAST ONE SPECIFIC POLYAROMATIC COMPOUND MICHELIN & CIE (FR) 2021-04-21 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-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
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
WO-2019007881-A1 POLYAROMATIC MOLECULE HAVING A NITRILE OXIDE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-01-10 WO disclosed
WO-2019007883-A1 COMPOSITION ON THE BASIS OF AT LEAST ONE SPECIFIC POLYAROMATIC COMPOUND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-01-10 WO disclosed
WO-2019007883-A1 COMPOSITION ON THE BASIS OF AT LEAST ONE SPECIFIC POLYAROMATIC COMPOUND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-01-10 WO disclosed
WO-2019007884-A1 POLYMER CARRYING SPECIFIC PENDANT IMIDAZOLIDINONE FUNCTIONAL GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-01-10 WO disclosed
WO-2019007881-A1 POLYAROMATIC MOLECULE HAVING A NITRILE OXIDE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-01-10 WO 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
WO-2016207263-A1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-12-29 WO disclosed