SCHEMBL7009823

SCHEMBL7009823

Cc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 1/20 0.48
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
FFAR4 Q5NUL3 2/20 0.42
TRPV1 Q8NER1 1/20 0.38
FPR2 P25090 2/20 0.38
SCN9A Q15858 2/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 2/20 0.37
ESR1 P03372 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7009043 0.92 S1PR1 (0.53) S1PR1S1PR3CYP1A2CYP2C9TRPV1
SCHEMBL7006071 0.88 S1PR1 (0.48) S1PR1S1PR3CYP1A2CYP2C9TRPV1
SCHEMBL7006595 0.87 MAPK1 (0.46) MAPK1CYP1A2CYP2C9MAPTL3MBTL1
SCHEMBL5252670 0.85 S1PR1 (0.52) S1PR1S1PR3FFAR4TRPV1SCN9A
SCHEMBL7007490 0.85 S1PR1 (0.46) S1PR1S1PR3MAPK1TRPV1FPR2
SCHEMBL8722892 0.82 MAPK1 (0.43) S1PR1MAPK1CYP1A2CYP2C9MAPT
SCHEMBL7004813 0.81 S1PR1 (0.43) S1PR1S1PR3CYP1A2CYP2C9TRPV1
SCHEMBL7006435 0.81 L3MBTL1 (0.58) MAPK1CYP1A2CYP2C9MAPTL3MBTL1
SCHEMBL7007712 0.81 S1PR1 (0.47) S1PR1S1PR3CYP1A2CYP2C9MAPT
SCHEMBL7011308 0.78 S1PR1 (0.47) S1PR1S1PR3CYP1A2CYP2C9MAPT

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-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP claimed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP claimed
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
US-6066597-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 2000-05-23 US disclosed
US-6008161-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero) aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
US-5824624-A HERBICIDES WITH CARRIERS OR SURFACTANTS AMERICAN CYANAMID COMPANY (US) 1998-10-20 US disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed