SCHEMBL6608420

SCHEMBL6608420

COc1cc(OCCCSC(F)(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 2/20 0.36
TGFBR1 P36897 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL6610761 0.95 KMT2A (0.42) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6609351 0.89 ADORA2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6610715 0.86 ADORA2A (0.39) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6610711 0.85 ADORA2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL5547806 0.84 KMT2A (0.50) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6612122 0.84 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6609513 0.80 KMT2A (0.38) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6612033 0.80 ADORA2A (0.44) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6278584 0.79 KMT2A (0.42) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL6611694 0.79 L3MBTL1 (0.38) KMT2AALDH1A1L3MBTL1MAPTMEN1

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 8 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-A1 HERBICIDAL 2-ARYLOXY-6-FLUOROALKYLTHIOALK(EN)YLOXY-PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-08-07 EP claimed
WO-2001036410-A1 HERBICIDAL 2-ARYLOXY-6-FLUOROALKYLTHIOALK(EN)YLOXY-PYRIDINE BASF AKTIENGESELLSCHAFT (DE) 2001-05-25 WO 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