SCHEMBL16014668

SCHEMBL16014668

COc1cc(-c2cc(C)cc(OC)c2O)c(N)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 2/20 0.41
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
EGFR P00533 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16025169 0.89 POLB (0.43) ALOX5PTGS2POLBL3MBTL1ALOX15
SCHEMBL890428 0.82 ALOX5 (0.50) ALOX5PTGS2ERN1ALOX15ALOX12
SCHEMBL7520392 0.81 ERN1 (0.57) ALOX5PTGS2POLBERN1TNKS2
SCHEMBL3292936 0.77 ALOX5 (0.67) ALOX5PTGS2POLBERN1ALOX15
SCHEMBL890444 0.76 ERN1 (0.49) ALOX5PTGS2POLBERN1TNKS2
SCHEMBL16024748 0.74 ERN1 (0.50) ALOX5PTGS2POLBERN1TNKS2
SCHEMBL19225422 0.74 ALDH1A1 (0.56) ALOX5PTGS2POLBERN1ALOX15
SCHEMBL16091526 0.73 ACHE (0.59) ALOX5PTGS2POLBERN1ALOX15
SCHEMBL25346669 0.72 POLB (0.57) ALOX5PTGS2POLBL3MBTL1KDM4E
SCHEMBL680329 0.72 POLB (0.61) POLBL3MBTL1GAAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10422047-B2 Electrochemical process for coupling of phenol to aniline EVONIK DEGUSSA GMBH (DE) 2019-09-24 US disclosed
US-10422047-B2 Electrochemical process for coupling of phenol to aniline EVONIK DEGUSSA GMBH (DE) 2019-09-24 US disclosed
EP-2964810-B1 ELECTROCHEMICAL METHOD FOR COUPLING PHENOL TO ANILINE EVONIK DEGUSSA GMBH (DE) 2016-11-23 EP disclosed
EP-2964810-B1 ELECTROCHEMICAL METHOD FOR COUPLING PHENOL TO ANILINE EVONIK DEGUSSA GMBH (DE) 2016-11-23 EP disclosed
US-20160017504-A1 ELECTROCHEMICAL PROCESS FOR COUPLING OF PHENOL TO ANILINE EVONIK DEGUSSA GMBH (DE) 2016-01-21 US disclosed
US-20160017504-A1 ELECTROCHEMICAL PROCESS FOR COUPLING OF PHENOL TO ANILINE EVONIK DEGUSSA GMBH (DE) 2016-01-21 US disclosed
US-20160017504-A1 ELECTROCHEMICAL PROCESS FOR COUPLING OF PHENOL TO ANILINE EVONIK DEGUSSA GMBH (DE) 2016-01-21 US disclosed
EP-2964810-A1 ELECTROCHEMICAL METHOD FOR COUPLING PHENOL TO ANILINE Evonik Degussa GmbH (DE) 2016-01-13 EP disclosed
WO-2014135371-A1 ELECTROCHEMICAL METHOD FOR COUPLING PHENOL TO ANILINE EVONIK INDUSTRIES AG (DE) 2014-09-12 WO disclosed
WO-2014135371-A1 ELECTROCHEMICAL METHOD FOR COUPLING PHENOL TO ANILINE EVONIK INDUSTRIES AG (DE) 2014-09-12 WO disclosed