SCHEMBL7958560

SCHEMBL7958560

COc1cc(OC)nc(Oc2cccc(OS(=O)(=O)C(F)(F)F)c2-c2cnco2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7950180 0.83 L3MBTL1 (0.39) IMPDH2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7964697 0.82 CYP1A2 (0.43) IMPDH2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7950171 0.81 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL8451425 0.80 CTSA (0.35) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL7950387 0.79 IMPDH2 (0.42) IMPDH2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7950159 0.76 AAK1 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL7962465 0.73 NPSR1 (0.45) IMPDH2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7950249 0.71 AAK1 (0.40)
SCHEMBL7950178 0.71 IMPDH2 (0.32) IMPDH2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9160883 0.70 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268310-B1 CONTROLLING WEEDS NIPPON SODA CO., LTD. (JP) 2001-07-31 US disclosed
US-6107251-A SUCH AS 5-(2-(4,6-DIMETHOXYPYRIMIDINE-2-YLOXY)-6-(4,6-DIMETHOXYTRIAZINE-2 -YLOXY)PHENYL)OXAZOLE AND OTHER COMPOUNDS OF SPECIFIED FORMULA NIPPON SODA CO., LTD. (JP) 2000-08-22 US disclosed
EP-0776894-A1 OXAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-06-04 EP disclosed