SCHEMBL5211896

SCHEMBL5211896

Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.47
CYP2C19 P33261 2/20 0.47
ATM Q13315 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 3/20 0.45
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL5215907 0.89 MAPT (0.48) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL5213114 0.87 MAPT (0.46) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL5212928 0.84 MAPT (0.44) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL5214981 0.82 CYP1A2 (0.41) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL8120033 0.81 TP53 (0.40) MAPK1CYP1A2CYP2C9MAPTCYP2C19
SCHEMBL5211924 0.80 SCN9A (0.39) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL5212887 0.80 MAPT (0.42) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL5216916 0.78 DYRK3 (0.39) MAPK1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL5215254 0.77 CYP1A2 (0.41) CYP1A2CYP2C9L3MBTL1MAPTCYP2C19
SCHEMBL5214209 0.76 S1PR1 (0.38) MAPK1MAPTKDM4ELMNAFFAR4

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-1028959-B1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES BASF AG (DE) 2007-06-27 EP claimed
EP-1028959-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 2000-08-23 EP claimed
WO-1999024427-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO claimed
EP-1028959-B1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES BASF AG (DE) 2007-06-27 EP disclosed
EP-1028959-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 2000-08-23 EP disclosed
WO-1999024427-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO disclosed