SCHEMBL7883589

SCHEMBL7883589

ON1C=CN(Cc2ccccc2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
CYP19A1 P11511 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 3/20 0.35
FUCA1 P04066 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CFTR P13569 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1085421 0.80 SIGMAR1 (0.39) SIGMAR1F2PLGELANECTSG
SCHEMBL23926420 0.76 F2 (0.38) SIGMAR1F2PLGELANECTSG
SCHEMBL7883570 0.69 SIGMAR1 (0.36) SIGMAR1F2PLGELANECTSG
SCHEMBL7884879 0.68 SIGMAR1 (0.35) SIGMAR1F2PLGELANECTSG
SCHEMBL8894887 0.64 SIGMAR1 (0.39) SIGMAR1F2PLGELANECTSG
SCHEMBL28795504 0.64 ALDH1A1 (0.39) SIGMAR1F2PLGELANECTSG
SCHEMBL7886239 0.64 CFTR (0.50) SIGMAR1GSK3AGSK3BCFTRKDM4E
SCHEMBL10094752 0.62 KDM4E (0.40) SIGMAR1F2PLGELANECTSG
SCHEMBL1249233 0.62 SIGMAR1 (0.43) SIGMAR1F2PLGELANECTSG
SCHEMBL21359954 0.60 GSK3A (0.40) SIGMAR1F2PLGELANECTSG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN disclosed
CN-1906230-A Method for producing carbonyl group-containing organosilicon compound WACKER CHEMIE GMBH (DE) 2007-01-31 CN disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed