SCHEMBL7009045

SCHEMBL7009045

CCc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.45
PDE4B Q07343 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7006435 0.84 L3MBTL1 (0.58) ABCG2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL7013398 0.84 MAPT (0.50) ABCG2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL8719700 0.83 TRPV3 (0.39) MAPK1MAPTPDE4BCYP3A4CYP2D6
SCHEMBL7007490 0.82 S1PR1 (0.46) MAPK1PDE4BFPR2SCN9A
SCHEMBL7011797 0.81 LMNA (0.46) ABCG2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL29387718 0.78 FFAR4 (0.52) ABCG2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL336755 0.78 FFAR4 (0.52) ABCG2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL7004883 0.77 L3MBTL1 (0.56) ABCG2MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL5214349 0.76 PTGS2 (0.38) CYP1A2CYP2C9CYP2C19NPSR1MAPT
SCHEMBL8612165 0.76 MAPT (0.53) MAPK1CYP1A2CYP2C9CYP2C19L3MBTL1

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 5 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-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed