SCHEMBL1957643

SCHEMBL1957643

COc1cccc(F)c1CC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
TLR2 O60603 1/20 0.40
ERN1 O75460 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
NPC1 O15118 1/20 0.38

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
SCHEMBL3128179 0.87 TLR2 (0.46) NFE2L2MAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1459660 0.80 ERN1 (0.40) NFE2L2KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL14135236 0.80 TLR2 (0.41) SMN1; SMN2ALDH1A1TLR2ERN1TLR1
SCHEMBL28072832 0.79 L3MBTL1 (0.46) NFE2L2KMT2AKDM1AMAOAMEN1
SCHEMBL6913018 0.79 LMNA (0.47) KMT2AL3MBTL1TDP1SLC6A2SLC6A4
SCHEMBL9900164 0.79 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL29953068 0.79 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL2486259 0.79 ALDH1A1 (0.52) KMT2AMEN1MAPK1TDP1ALDH1A1
SCHEMBL8699251 0.77 HCRTR1 (0.41) KMT2AMEN1SMN1; SMN2L3MBTL1TDP1
SCHEMBL8418210 0.77 L3MBTL1 (0.47) NFE2L2KMT2AKDM1AMAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094631-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2016-11-23 EP disclosed
WO-2015108779-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-23 WO disclosed
EP-2705029-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2014-03-12 EP disclosed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed