SCHEMBL7007059

SCHEMBL7007059

Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(Oc2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
F10 P00742 1/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
PPP1CA P62136 1/20 0.46
LMNA P02545 1/20 0.46
ADORA2A P29274 1/20 0.46
MEN1 O00255 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7005915 0.91 ABCG2 (0.54) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6182752 0.81 NPSR1 (0.55) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7007712 0.81 S1PR1 (0.47) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7006435 0.79 L3MBTL1 (0.58) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6719360 0.78 F10 (0.61) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7014985 0.77 KMT2A (0.71) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7013398 0.76 MAPT (0.50) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7009045 0.73 ABCG2 (0.47) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL25319416 0.73 L3MBTL1 (0.51) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7007726 0.73 CYP1A2 (0.51) ABCG2NPSR1CYP1A2CYP2C9CYP2C19

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