SCHEMBL8773213

SCHEMBL8773213

COc1ccc(Oc2cc(C#N)cc(Oc3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 7/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
NTRK1 P04629 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PPARG P37231 1/20 0.42
P2RY1 P47900 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APP P05067 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8773215 0.91 CYP1A2 (0.50) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL8773194 0.86 CHRM5 (0.42) MAPTL3MBTL1KDM4ELMNAHTT
SCHEMBL7110336 0.84 MAPT (0.49) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL8773209 0.83 MAPT (0.58) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL8773244 0.80 GRM5 (0.47) POLBL3MBTL1GAACYP1A2CYP2C9
SCHEMBL8548872 0.80 POLB (0.43) MAPTPOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL8546808 0.78 POLB (0.43) MAPTPOLBL3MBTL1MAPK1CYP1A2
SCHEMBL7110308 0.78 POLB (0.51) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL6610250 0.78 POLB (0.42) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL6608734 0.78 POLB (0.42) MAPTPOLBL3MBTL1GAAMAPK1

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