SCHEMBL8773209

SCHEMBL8773209

COc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
PPP1CA P62136 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LRRK2 Q5S007 1/20 0.47
ADORA2A P29274 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NTRK1 P04629 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
PDE4B Q07343 1/20 0.44

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
SCHEMBL7107314 0.90 MAPT (0.52) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL8062097 0.90 MAPT (0.55) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL7049881 0.88 MAPT (0.63) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL8773242 0.87 MAOB (0.48) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL8120425 0.87 MAPT (0.47) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL7110336 0.87 MAPT (0.49) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL8507324 0.86 MAPT (0.56) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL29607042 0.85 MAPT (0.65) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL8773158 0.85 MAPT (0.65) MAPTL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL7053409 0.85 MAPT (0.62) MAPTL3MBTL1NPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691277-A REACTING A 2,6-DIHALOGENOPYRIDINE WITH A META SUBSTITUTED PHENOL KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-11-25 US disclosed
EP-0692474-B1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA CHEMICAL IND CO LTD (JP) 1997-10-29 EP disclosed
EP-0692474-A1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed