SCHEMBL6611301

SCHEMBL6611301

COc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(OC(F)F)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP4A P20648 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP4B P51164 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.31
UTRN P46939 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6610717 0.95 ATP1A1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL6610955 0.92 F2RL3 (0.33) F2RL3
SCHEMBL6611243 0.87
SCHEMBL6610974 0.87 KDM4E (0.33) LMNAKDM4E
SCHEMBL6610768 0.86 F2RL3 (0.30) F2RL3
SCHEMBL6610496 0.85 L3MBTL1 (0.38) L3MBTL1LMNABLMKDM4EMAPT
SCHEMBL6612235 0.82 LMNA (0.31) LMNAMAPT
SCHEMBL6612640 0.82 KDM4E (0.33) LMNAKDM4E
SCHEMBL6611694 0.80 L3MBTL1 (0.38) L3MBTL1BLMKDM4EMAPT
SCHEMBL6609245 0.78 MAPT (0.45) L3MBTL1KDM4EMAPT

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
EP-1228062-B1 HERBICIDAL 2-ARYLOXY-6-FLUOROALKYLTHIOALK(EN)YLOXY-PYRIDINES BASF AG (DE) 2004-04-28 EP claimed
US-6534447-B1 2,6-disubstituted pyridine derivatives in which a fluoroalkylthioalk(en)yloxy group is attached to the pyridine group in the 2-position BASF AKTIENGESELLSCHAFT (DE) 2003-03-18 US claimed
EP-1228062-B1 HERBICIDAL 2-ARYLOXY-6-FLUOROALKYLTHIOALK(EN)YLOXY-PYRIDINES BASF AG (DE) 2004-04-28 EP disclosed
US-6534447-B1 2,6-disubstituted pyridine derivatives in which a fluoroalkylthioalk(en)yloxy group is attached to the pyridine group in the 2-position BASF AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-1228062-A1 HERBICIDAL 2-ARYLOXY-6-FLUOROALKYLTHIOALK(EN)YLOXY-PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-08-07 EP disclosed
WO-2001036410-A1 HERBICIDAL 2-ARYLOXY-6-FLUOROALKYLTHIOALK(EN)YLOXY-PYRIDINE BASF AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed